- InChI
- InChI=1S/C29H48O4/c1-6-7-8-9-10-11-12-13-14-15-16-19-22-32-28(30)25-20-17-18-21-26(25)29(31)33-27(23(2)3)24(4)5/h17-18,20-21,23-24,27H,6-16,19,22H2,1-5H3
- InChI Key
- PLRMLBXUAOURDR-UHFFFAOYSA-N
- Formula
- C29H48O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)c1ccccc1C(
=O)OC(C(C)C)C(C)C - Molecular Weight1
- 460.69
- 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° | -179.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -922.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.23 | kJ/mol | Joback Calculated Property |
| log10WS | -9.54 | Crippen Calculated Property | |
| logPoct/wat | 8.382 | Crippen Calculated Property | |
| McVol | 410.590 | ml/mol | McGowan Calculated Property |
| Pc | 784.63 | kPa | Joback Calculated Property |
| Inp | [3106.00; 3106.00] |
|
|
| Inp | 3106.00 | NIST | |
| Inp | 3106.00 | NIST | |
| Tboil | 1045.84 | K | Joback Calculated Property |
| Tc | 1284.97 | K | Joback Calculated Property |
| Tfus | 554.85 | K | Joback Calculated Property |
| Vc | 1.581 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1433.75; 1514.93] | J/mol×K | [1045.84; 1284.97] |
|
| Cp,gas | 1433.75 | J/mol×K | 1045.84 | Joback Calculated Property |
| Cp,gas | 1451.78 | J/mol×K | 1085.70 | Joback Calculated Property |
| Cp,gas | 1467.90 | J/mol×K | 1125.55 | Joback Calculated Property |
| Cp,gas | 1482.20 | J/mol×K | 1165.41 | Joback Calculated Property |
| Cp,gas | 1494.76 | J/mol×K | 1205.26 | Joback Calculated Property |
| Cp,gas | 1505.64 | J/mol×K | 1245.12 | Joback Calculated Property |
| Cp,gas | 1514.93 | J/mol×K | 1284.97 | Joback Calculated Property |
| η | [0.0000107; 0.0002843] | Pa×s | [554.85; 1045.84] |
|
| η | 0.0002843 | Pa×s | 554.85 | Joback Calculated Property |
| η | 0.0001159 | Pa×s | 636.68 | Joback Calculated Property |
| η | 0.0000580 | Pa×s | 718.51 | Joback Calculated Property |
| η | 0.0000334 | Pa×s | 800.35 | Joback Calculated Property |
| η | 0.0000213 | Pa×s | 882.18 | Joback Calculated Property |
| η | 0.0000147 | Pa×s | 964.01 | Joback Calculated Property |
| η | 0.0000107 | Pa×s | 1045.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2,4-dimethylpent-3-yl tetradecyl ester.
Sources
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