- InChI
- InChI=1S/C21H34O2/c1-5-6-7-8-9-10-11-12-17-23-20(22)18-13-15-19(16-14-18)21(2,3)4/h13-16H,5-12,17H2,1-4H3
- InChI Key
- KDPKSPVSWJHSDT-UHFFFAOYSA-N
- Formula
- C21H34O2
- SMILES
-
CCCCCCCCCCOC(=O)c1ccc(C(C)(C)C
)cc1 - Molecular Weight1
- 318.49
- 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° | -2.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -505.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.14 | kJ/mol | Joback Calculated Property |
| log10WS | -6.79 | Crippen Calculated Property | |
| logPoct/wat | 6.282 | Crippen Calculated Property | |
| McVol | 290.430 | ml/mol | McGowan Calculated Property |
| Pc | 1228.56 | kPa | Joback Calculated Property |
| Inp | [2368.00; 2368.00] |
|
|
| Inp | 2368.00 | NIST | |
| Inp | 2368.00 | NIST | |
| Tboil | 784.60 | K | Joback Calculated Property |
| Tc | 981.87 | K | Joback Calculated Property |
| Tfus | 439.95 | K | Joback Calculated Property |
| Vc | 1.117 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [886.47; 983.01] | J/mol×K | [784.60; 981.87] |
|
| Cp,gas | 886.47 | J/mol×K | 784.60 | Joback Calculated Property |
| Cp,gas | 905.19 | J/mol×K | 817.48 | Joback Calculated Property |
| Cp,gas | 922.78 | J/mol×K | 850.36 | Joback Calculated Property |
| Cp,gas | 939.31 | J/mol×K | 883.23 | Joback Calculated Property |
| Cp,gas | 954.82 | J/mol×K | 916.11 | Joback Calculated Property |
| Cp,gas | 969.37 | J/mol×K | 948.99 | Joback Calculated Property |
| Cp,gas | 983.01 | J/mol×K | 981.87 | Joback Calculated Property |
| η | [0.0000528; 0.0009350] | Pa×s | [439.95; 784.60] |
|
| η | 0.0009350 | Pa×s | 439.95 | Joback Calculated Property |
| η | 0.0004392 | Pa×s | 497.39 | Joback Calculated Property |
| η | 0.0002412 | Pa×s | 554.83 | Joback Calculated Property |
| η | 0.0001483 | Pa×s | 612.27 | Joback Calculated Property |
| η | 0.0000991 | Pa×s | 669.72 | Joback Calculated Property |
| η | 0.0000705 | Pa×s | 727.16 | Joback Calculated Property |
| η | 0.0000528 | Pa×s | 784.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-tert-butyl-, decyl ester.
Sources
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