- InChI
- InChI=1S/C23H34O4/c1-20(2)19-27-23(25)17-11-6-4-3-5-10-16-22(24)26-18-12-15-21-13-8-7-9-14-21/h7-9,12-15,20H,3-6,10-11,16-19H2,1-2H3/b15-12+
- InChI Key
- NPVLIHHTMWLZRP-NTCAYCPXSA-N
- Formula
- C23H34O4
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)OCC=C
c1ccccc1 - Molecular Weight1
- 374.51
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -134.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -659.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.95 | kJ/mol | Joback Calculated Property |
| log10WS | -6.06 | Crippen Calculated Property | |
| logPoct/wat | 5.563 | Crippen Calculated Property | |
| McVol | 321.750 | ml/mol | McGowan Calculated Property |
| Pc | 1154.57 | kPa | Joback Calculated Property |
| Inp | [2848.00; 2848.00] |
|
|
| Inp | 2848.00 | NIST | |
| Inp | 2848.00 | NIST | |
| Tboil | 908.62 | K | Joback Calculated Property |
| Tc | 1117.04 | K | Joback Calculated Property |
| Tfus | 499.63 | K | Joback Calculated Property |
| Vc | 1.238 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1031.55; 1113.49] | J/mol×K | [908.62; 1117.04] |
|
| Cp,gas | 1031.55 | J/mol×K | 908.62 | Joback Calculated Property |
| Cp,gas | 1048.05 | J/mol×K | 943.36 | Joback Calculated Property |
| Cp,gas | 1063.34 | J/mol×K | 978.09 | Joback Calculated Property |
| Cp,gas | 1077.48 | J/mol×K | 1012.83 | Joback Calculated Property |
| Cp,gas | 1090.52 | J/mol×K | 1047.57 | Joback Calculated Property |
| Cp,gas | 1102.50 | J/mol×K | 1082.30 | Joback Calculated Property |
| Cp,gas | 1113.49 | J/mol×K | 1117.04 | Joback Calculated Property |
| η | [0.0000280; 0.0005281] | Pa×s | [499.63; 908.62] |
|
| η | 0.0005281 | Pa×s | 499.63 | Joback Calculated Property |
| η | 0.0002413 | Pa×s | 567.79 | Joback Calculated Property |
| η | 0.0001304 | Pa×s | 635.96 | Joback Calculated Property |
| η | 0.0000794 | Pa×s | 704.12 | Joback Calculated Property |
| η | 0.0000528 | Pa×s | 772.29 | Joback Calculated Property |
| η | 0.0000375 | Pa×s | 840.45 | Joback Calculated Property |
| η | 0.0000280 | Pa×s | 908.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isobutyl 3-phenylallyl ester.
Sources
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