- InChI
- InChI=1S/C23H38O2/c1-5-6-7-8-9-10-11-12-13-14-19-25-22(24)20-15-17-21(18-16-20)23(2,3)4/h15-18H,5-14,19H2,1-4H3
- InChI Key
- RHDUFQGLFNMALK-UHFFFAOYSA-N
- Formula
- C23H38O2
- SMILES
-
CCCCCCCCCCCCOC(=O)c1ccc(C(C)(C
)C)cc1 - Molecular Weight1
- 346.55
- 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° | 14.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -546.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.59 | kJ/mol | Joback Calculated Property |
| log10WS | -7.63 | Crippen Calculated Property | |
| logPoct/wat | 7.062 | Crippen Calculated Property | |
| McVol | 318.610 | ml/mol | McGowan Calculated Property |
| Pc | 1078.51 | kPa | Joback Calculated Property |
| Inp | [2581.00; 2581.00] |
|
|
| Inp | 2581.00 | NIST | |
| Inp | 2581.00 | NIST | |
| Tboil | 830.36 | K | Joback Calculated Property |
| Tc | 1028.02 | K | Joback Calculated Property |
| Tfus | 462.49 | K | Joback Calculated Property |
| Vc | 1.228 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1006.77; 1105.10] | J/mol×K | [830.36; 1028.02] |
|
| Cp,gas | 1006.77 | J/mol×K | 830.36 | Joback Calculated Property |
| Cp,gas | 1025.85 | J/mol×K | 863.30 | Joback Calculated Property |
| Cp,gas | 1043.77 | J/mol×K | 896.25 | Joback Calculated Property |
| Cp,gas | 1060.60 | J/mol×K | 929.19 | Joback Calculated Property |
| Cp,gas | 1076.40 | J/mol×K | 962.14 | Joback Calculated Property |
| Cp,gas | 1091.21 | J/mol×K | 995.08 | Joback Calculated Property |
| Cp,gas | 1105.10 | J/mol×K | 1028.02 | Joback Calculated Property |
| η | [0.0000395; 0.0007464] | Pa×s | [462.49; 830.36] |
|
| η | 0.0007464 | Pa×s | 462.49 | Joback Calculated Property |
| η | 0.0003434 | Pa×s | 523.80 | Joback Calculated Property |
| η | 0.0001859 | Pa×s | 585.11 | Joback Calculated Property |
| η | 0.0001131 | Pa×s | 646.42 | Joback Calculated Property |
| η | 0.0000750 | Pa×s | 707.74 | Joback Calculated Property |
| η | 0.0000531 | Pa×s | 769.05 | Joback Calculated Property |
| η | 0.0000395 | Pa×s | 830.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-tert-butyl-, dodecyl ester.
Sources
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