- InChI
- InChI=1S/C32H54O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-35-30(33)28-22-19-20-23-29(28)31(34)36-26-27(2)25-32(3,4)5/h19-20,22-23,27H,6-18,21,24-26H2,1-5H3
- InChI Key
- QNGDPTOSQFDMBS-UHFFFAOYSA-N
- Formula
- C32H54O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)c1ccccc1
C(=O)OCC(C)CC(C)(C)C - Molecular Weight1
- 502.77
- 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° | -146.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -982.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.39 | kJ/mol | Joback Calculated Property |
| log10WS | -10.68 | Crippen Calculated Property | |
| logPoct/wat | 9.554 | Crippen Calculated Property | |
| McVol | 452.860 | ml/mol | McGowan Calculated Property |
| Pc | 672.90 | kPa | Joback Calculated Property |
| Inp | [3381.00; 3381.00] |
|
|
| Inp | 3381.00 | NIST | |
| Inp | 3381.00 | NIST | |
| Tboil | 1112.13 | K | Joback Calculated Property |
| Tc | 1379.62 | K | Joback Calculated Property |
| Tfus | 621.08 | K | Joback Calculated Property |
| Vc | 1.750 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1625.54; 1717.42] | J/mol×K | [1112.13; 1379.62] |
|
| Cp,gas | 1625.54 | J/mol×K | 1112.13 | Joback Calculated Property |
| Cp,gas | 1645.34 | J/mol×K | 1156.71 | Joback Calculated Property |
| Cp,gas | 1663.13 | J/mol×K | 1201.29 | Joback Calculated Property |
| Cp,gas | 1679.06 | J/mol×K | 1245.87 | Joback Calculated Property |
| Cp,gas | 1693.31 | J/mol×K | 1290.46 | Joback Calculated Property |
| Cp,gas | 1706.04 | J/mol×K | 1335.04 | Joback Calculated Property |
| Cp,gas | 1717.42 | J/mol×K | 1379.62 | Joback Calculated Property |
| η | [0.0000059; 0.0001278] | Pa×s | [621.08; 1112.13] |
|
| η | 0.0001278 | Pa×s | 621.08 | Joback Calculated Property |
| η | 0.0000568 | Pa×s | 702.92 | Joback Calculated Property |
| η | 0.0000299 | Pa×s | 784.76 | Joback Calculated Property |
| η | 0.0000178 | Pa×s | 866.61 | Joback Calculated Property |
| η | 0.0000116 | Pa×s | 948.45 | Joback Calculated Property |
| η | 0.0000081 | Pa×s | 1030.29 | Joback Calculated Property |
| η | 0.0000059 | Pa×s | 1112.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, hexadecyl 2,4,4-trimethylpentyl ester.
Sources
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