![C20H31No5 searbhag hottanoic, 3- hydroxy-5 - 4-methyl-4 - [(pheNylmathy Ester, [3mh *, 4s *)] - (9c) h301](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C20H31No5 searbhag hottanoic, 3- hydroxy-5-3-methyl-4 - [(pheNylmethyle Ester, [3,1-*))] - (4s *](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid.jpg)
C20H31No5 searbhag hottanoic, 3- hydroxy-5 - 4-methyl-4 - [(pheNylmathy Ester, [3mh *, 4s *)] - (9c) h301
| Prìomh thogalaichean corporra | Luach | Suidheachadh |
| Cuideam molecular | 365.46 | - |
| Puing goil (ro-innse) | 504.1 ± 50.0 ° C. | Brùth: 760 Torr |
| Dùmhlachd (ro-innse) | 1.091 ± 0.06 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr |
| paka (ro-innse) | 11.82 ± 0.46 | Temp as searbhagach: 25 ° C. |
Gàire canonical o = c (occ = 1c = cc = cc = cc1) nc (c (c) cc (c) cc (c) cc (c) cc
Tha Isomeric a 'gàireachdainn [c @ h h] ([c @@] (cc (cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc) (cc) (cc)
Inchi
Inchi = 1s / c20H31N11No5 / C1-6-14 (2 (22) 2-11-11-11-11-11-11-11-11-11mh, 6,12h2,1-5 H3, (H, 21,24) / T14-, 16 + 18- / m0 / S1
Iuchair Inchi
Aztsbawjrowjrowri-wescradosa-n
| Togalaichean rim faighinn |
| Bith-eòlasach |
| Ceimigeach |
| Dùmhlachd |
| Lipinski |
| Structar co-cheangailte |
| Thermal |
Bith-eòlasach
| Seilbh | Luach | Suidheachadh | Stòr |
| Dà fhaclan bith-eòlasach | 616 | Ph 1; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 617 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 617 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 617 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 617 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 617 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 617 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 617 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 616 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 604 | Ph 10; Temp: 25 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Ceimigeach
| Seilbh | Luach | Suidheachadh | Stòr |
| Koc | 3450 | Ph 1; Temp: 25 ° C. | (1) ACD |
| Koc | 3460 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Koc | 3460 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Koc | 3460 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Koc | 3460 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Koc | 3460 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Koc | 3460 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Koc | 3460 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Koc | 3450 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Koc | 3390 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logd | 3.97 | Ph 1; Temp: 25 ° C. | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| logd | 3.97 | Ph 2; Temp: 25 ° C. | (1) ACD |
| logd | 3.97 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 3.97 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | 3.97 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | 3.97 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | 3.97 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | 3.97 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | 3.97 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | 3.96 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logp | 3.974 ± 0.543 | Temp: 25 ° C. | (1) ACD |
| Misneachd solbalileachd neo-ghnèitheach mòr | 0.062 G / L | Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.062 G / L | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.062 G / L | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.062 G / L | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.062 G / L | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.062 G / L | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.062 G / L | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.062 G / L | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.062 G / L | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.062 G / L | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.062 G / L | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.062 G / L | Uisge Unbuffered PH 6.99; Temp: 25 ° C. | (1) ACD |
| Solbalileachd neo-ghnèitheach molar | 1.7 x 10-4 Mol / L. | Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.7 x 10-4 Mol / L. | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.7 x 10-4 Mol / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.7 x 10-4 Mol / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.7 x 10-4 Mol / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.7 x 10-4 Mol / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.7 x 10-4 Mol / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.7 x 10-4 Mol / L. | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.7 x 10-4 Mol / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.7 x 10-4 Mol / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| Solubility molar | 1.7 x 10-4 Mol / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.7 x 10-4 Mol / L. | Uisge Unbuffered PH 6.99; Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 365.46 | ||
| paka | 11.82 ± 0.46 | Temp as searbhagach: 25 ° C. | (1) ACD |
| paka | -1.56 ± 0.70 | Temp as bunaitiche: 25 ° C. | (1) ACD |
| Cuideam vapor | 5.56 x 10-11 Torr | Temp: 25 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Dùmhlachd
| Seilbh | Luach | Suidheachadh | Stòr |
| Dùmhlachd | 1.091 ± 0.06 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
| Tomhas-lìonaidh molar | 334.7 ± 3.0 cm3 / mol | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Lipinski
| Seilbh | Luach | Suidheachadh | Stòr |
| Bannan gu tur ro-bheathaichte | 12 | (1) ACD | |
| Hrrairean | 6 | (1) ACD | |
| Hnors her | 2 | (1) ACD | |
| H tabhartaiche / geurraiche suim | 8 | (1) ACD | |
| logp | 3.974 ± 0.543 | Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 365.46 |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Structar co-cheangailte
| Seilbh | Luach | Suidheachadh | Stòr |
| Raon uachdar pòla | 84.9 A2 | (1) ACD | |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Thermal
| Seilbh | Luach | Suidheachadh | Stòr |
| Point Point | 504.1 ± 50.0 ° C. | Brùth: 760 Torr | (1) ACD |
| Enthalpy of Vaporization | 81.44 ± 3.0 KJ / MOL | Brùth: 760 Torr | (1) ACD |
| Puing Flash | 258.6 ± 30.1 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Spectra ri fhaighinn
1h nmr
13c nmr
| Còd | Aithris cunnart | Stòr |
| H301 | Puinnseanta ma thèid a shlugadh | Buidheann Buidheann-cheist Eòrpach (Echa) Clàraidh Clàraidh & Labeling Seòrsachadh agus Labeling - Clàr-taic Buidheann Cheamigeach Eòrpach (Echa) Seòrsachadh agus Labeling - a 'mhòr-chuid de dh' aithrisean as miosa |
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