- InChI
- InChI=1S/C29H40O4/c1-4-5-23-32-27(30)17-13-8-6-7-9-14-18-28(31)33-26-21-19-25(20-22-26)29(2,3)24-15-11-10-12-16-24/h10-12,15-16,19-22H,4-9,13-14,17-18,23H2,1-3H3
- InChI Key
- NXOQVJQKJBUNNZ-UHFFFAOYSA-N
- Formula
- C29H40O4
- SMILES
-
CCCCOC(=O)CCCCCCCCC(=O)Oc1ccc(
C(C)(C)c2ccccc2)cc1 - Molecular Weight1
- 452.63
- 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° | -56.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -678.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.38 | kJ/mol | Joback Calculated Property |
| log10WS | -8.28 | Crippen Calculated Property | |
| logPoct/wat | 7.382 | Crippen Calculated Property | |
| McVol | 386.830 | ml/mol | McGowan Calculated Property |
| Pc | 950.25 | kPa | Joback Calculated Property |
| Inp | 3560.00 | NIST | |
| Tboil | 1070.61 | K | Joback Calculated Property |
| Tc | 1310.73 | K | Joback Calculated Property |
| Tfus | 628.69 | K | Joback Calculated Property |
| Vc | 1.480 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1322.76; 1395.45] | J/mol×K | [1070.61; 1310.73] | 
|
| Cp,gas | 1322.76 | J/mol×K | 1070.61 | Joback Calculated Property |
| Cp,gas | 1338.07 | J/mol×K | 1110.63 | Joback Calculated Property |
| Cp,gas | 1351.95 | J/mol×K | 1150.65 | Joback Calculated Property |
| Cp,gas | 1364.51 | J/mol×K | 1190.67 | Joback Calculated Property |
| Cp,gas | 1375.87 | J/mol×K | 1230.69 | Joback Calculated Property |
| Cp,gas | 1386.14 | J/mol×K | 1270.71 | Joback Calculated Property |
| Cp,gas | 1395.45 | J/mol×K | 1310.73 | Joback Calculated Property |
| η | [0.0000111; 0.0001563] | Pa×s | [628.69; 1070.61] |
|
| η | 0.0001563 | Pa×s | 628.69 | Joback Calculated Property |
| η | 0.0000797 | Pa×s | 702.34 | Joback Calculated Property |
| η | 0.0000462 | Pa×s | 776.00 | Joback Calculated Property |
| η | 0.0000295 | Pa×s | 849.65 | Joback Calculated Property |
| η | 0.0000202 | Pa×s | 923.30 | Joback Calculated Property |
| η | 0.0000146 | Pa×s | 996.96 | Joback Calculated Property |
| η | 0.0000111 | Pa×s | 1070.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, butyl 4-(2-phenylpropyl-2)-phenyl ester.
Sources
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