- InChI
- InChI=1S/C24H40O2/c1-5-6-7-8-9-10-11-12-13-14-15-20-26-23(25)21-16-18-22(19-17-21)24(2,3)4/h16-19H,5-15,20H2,1-4H3
- InChI Key
- MCMOTKKJQLDYFX-UHFFFAOYSA-N
- Formula
- C24H40O2
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1ccc(C(C)(
C)C)cc1 - Molecular Weight1
- 360.57
- 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° | 22.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -567.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.82 | kJ/mol | Joback Calculated Property |
| log10WS | -8.05 | Crippen Calculated Property | |
| logPoct/wat | 7.452 | Crippen Calculated Property | |
| McVol | 332.700 | ml/mol | McGowan Calculated Property |
| Pc | 1013.59 | kPa | Joback Calculated Property |
| Inp | [2684.00; 2684.00] |
|
|
| Inp | 2684.00 | NIST | |
| Inp | 2684.00 | NIST | |
| Tboil | 853.24 | K | Joback Calculated Property |
| Tc | 1052.12 | K | Joback Calculated Property |
| Tfus | 473.76 | K | Joback Calculated Property |
| Vc | 1.284 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1068.08; 1167.40] | J/mol×K | [853.24; 1052.12] |
|
| Cp,gas | 1068.08 | J/mol×K | 853.24 | Joback Calculated Property |
| Cp,gas | 1087.37 | J/mol×K | 886.39 | Joback Calculated Property |
| Cp,gas | 1105.48 | J/mol×K | 919.53 | Joback Calculated Property |
| Cp,gas | 1122.48 | J/mol×K | 952.68 | Joback Calculated Property |
| Cp,gas | 1138.42 | J/mol×K | 985.83 | Joback Calculated Property |
| Cp,gas | 1153.37 | J/mol×K | 1018.98 | Joback Calculated Property |
| Cp,gas | 1167.40 | J/mol×K | 1052.12 | Joback Calculated Property |
| η | [0.0000341; 0.0006631] | Pa×s | [473.76; 853.24] |
|
| η | 0.0006631 | Pa×s | 473.76 | Joback Calculated Property |
| η | 0.0003022 | Pa×s | 537.01 | Joback Calculated Property |
| η | 0.0001625 | Pa×s | 600.25 | Joback Calculated Property |
| η | 0.0000984 | Pa×s | 663.50 | Joback Calculated Property |
| η | 0.0000650 | Pa×s | 726.75 | Joback Calculated Property |
| η | 0.0000459 | Pa×s | 789.99 | Joback Calculated Property |
| η | 0.0000341 | Pa×s | 853.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-tert-butyl-, tridecyl ester.
Sources
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