- InChI
- InChI=1S/C31H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-23-34-29(32)27-21-18-19-22-28(27)30(33)35-25-26(2)24-31(3,4)5/h18-19,21-22,26H,6-17,20,23-25H2,1-5H3
- InChI Key
- NXOQIOKWSWIEMS-UHFFFAOYSA-N
- Formula
- C31H52O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)c1ccccc1C
(=O)OCC(C)CC(C)(C)C - Molecular Weight1
- 488.74
- 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° | -154.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -961.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.17 | kJ/mol | Joback Calculated Property |
| log10WS | -10.26 | Crippen Calculated Property | |
| logPoct/wat | 9.164 | Crippen Calculated Property | |
| McVol | 438.770 | ml/mol | McGowan Calculated Property |
| Pc | 707.71 | kPa | Joback Calculated Property |
| Inp | 3279.00 | NIST | |
| Tboil | 1089.25 | K | Joback Calculated Property |
| Tc | 1345.31 | K | Joback Calculated Property |
| Tfus | 609.81 | K | Joback Calculated Property |
| Vc | 1.694 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1561.14; 1651.36] | J/mol×K | [1089.25; 1345.31] | 
|
| Cp,gas | 1561.14 | J/mol×K | 1089.25 | Joback Calculated Property |
| Cp,gas | 1580.41 | J/mol×K | 1131.93 | Joback Calculated Property |
| Cp,gas | 1597.80 | J/mol×K | 1174.60 | Joback Calculated Property |
| Cp,gas | 1613.45 | J/mol×K | 1217.28 | Joback Calculated Property |
| Cp,gas | 1627.50 | J/mol×K | 1259.96 | Joback Calculated Property |
| Cp,gas | 1640.09 | J/mol×K | 1302.63 | Joback Calculated Property |
| Cp,gas | 1651.36 | J/mol×K | 1345.31 | Joback Calculated Property |
| η | [0.0000070; 0.0001477] | Pa×s | [609.81; 1089.25] |
|
| η | 0.0001477 | Pa×s | 609.81 | Joback Calculated Property |
| η | 0.0000662 | Pa×s | 689.72 | Joback Calculated Property |
| η | 0.0000350 | Pa×s | 769.62 | Joback Calculated Property |
| η | 0.0000209 | Pa×s | 849.53 | Joback Calculated Property |
| η | 0.0000136 | Pa×s | 929.44 | Joback Calculated Property |
| η | 0.0000095 | Pa×s | 1009.34 | Joback Calculated Property |
| η | 0.0000070 | Pa×s | 1089.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, pentadecyl 2,4,4-trimethylpentyl ester.
Sources
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