- InChI
- InChI=1S/C22H36O2/c1-5-6-7-8-9-10-11-12-13-18-24-21(23)19-14-16-20(17-15-19)22(2,3)4/h14-17H,5-13,18H2,1-4H3
- InChI Key
- XNTOKZLDGKOLNM-UHFFFAOYSA-N
- Formula
- C22H36O2
- SMILES
-
CCCCCCCCCCCOC(=O)c1ccc(C(C)(C)
C)cc1 - Molecular Weight1
- 332.52
- 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° | 6.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -525.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.36 | kJ/mol | Joback Calculated Property |
| log10WS | -7.21 | Crippen Calculated Property | |
| logPoct/wat | 6.672 | Crippen Calculated Property | |
| McVol | 304.520 | ml/mol | McGowan Calculated Property |
| Pc | 1149.87 | kPa | Joback Calculated Property |
| Inp | [2476.00; 2476.00] |
|
|
| Inp | 2476.00 | NIST | |
| Inp | 2476.00 | NIST | |
| Tboil | 807.48 | K | Joback Calculated Property |
| Tc | 1004.62 | K | Joback Calculated Property |
| Tfus | 451.22 | K | Joback Calculated Property |
| Vc | 1.173 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [946.21; 1043.63] | J/mol×K | [807.48; 1004.62] |
|
| Cp,gas | 946.21 | J/mol×K | 807.48 | Joback Calculated Property |
| Cp,gas | 965.10 | J/mol×K | 840.34 | Joback Calculated Property |
| Cp,gas | 982.86 | J/mol×K | 873.19 | Joback Calculated Property |
| Cp,gas | 999.53 | J/mol×K | 906.05 | Joback Calculated Property |
| Cp,gas | 1015.19 | J/mol×K | 938.91 | Joback Calculated Property |
| Cp,gas | 1029.87 | J/mol×K | 971.77 | Joback Calculated Property |
| Cp,gas | 1043.63 | J/mol×K | 1004.62 | Joback Calculated Property |
| η | [0.0000457; 0.0008371] | Pa×s | [451.22; 807.48] |
|
| η | 0.0008371 | Pa×s | 451.22 | Joback Calculated Property |
| η | 0.0003891 | Pa×s | 510.60 | Joback Calculated Property |
| η | 0.0002121 | Pa×s | 569.97 | Joback Calculated Property |
| η | 0.0001297 | Pa×s | 629.35 | Joback Calculated Property |
| η | 0.0000863 | Pa×s | 688.73 | Joback Calculated Property |
| η | 0.0000613 | Pa×s | 748.10 | Joback Calculated Property |
| η | 0.0000457 | Pa×s | 807.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-tert-butyl-, undecyl ester.
Sources
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