- InChI
- InChI=1S/C28H48O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-25-30-28(29)27-23-21-26(22-24-27)20-6-4-2/h21-24H,3-20,25H2,1-2H3
- InChI Key
- VRWCPSOWOJJUQU-UHFFFAOYSA-N
- Formula
- C28H48O2
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)c1ccc(C
CCC)cc1 - Molecular Weight1
- 416.68
- 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° | 53.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -640.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.02 | kJ/mol | Joback Calculated Property |
| log10WS | -10.05 | Crippen Calculated Property | |
| logPoct/wat | 9.057 | Crippen Calculated Property | |
| McVol | 389.060 | ml/mol | McGowan Calculated Property |
| Pc | 796.18 | kPa | Joback Calculated Property |
| Inp | 2892.70 | NIST | |
| Tboil | 947.99 | K | Joback Calculated Property |
| Tc | 1161.23 | K | Joback Calculated Property |
| Tfus | 516.42 | K | Joback Calculated Property |
| Vc | 1.520 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1320.05; 1423.94] | J/mol×K | [947.99; 1161.23] | 
|
| Cp,gas | 1320.05 | J/mol×K | 947.99 | Joback Calculated Property |
| Cp,gas | 1340.74 | J/mol×K | 983.53 | Joback Calculated Property |
| Cp,gas | 1359.98 | J/mol×K | 1019.07 | Joback Calculated Property |
| Cp,gas | 1377.85 | J/mol×K | 1054.61 | Joback Calculated Property |
| Cp,gas | 1394.42 | J/mol×K | 1090.15 | Joback Calculated Property |
| Cp,gas | 1409.76 | J/mol×K | 1125.69 | Joback Calculated Property |
| Cp,gas | 1423.94 | J/mol×K | 1161.23 | Joback Calculated Property |
| η | [0.0000242; 0.0004423] | Pa×s | [516.42; 947.99] |
|
| η | 0.0004423 | Pa×s | 516.42 | Joback Calculated Property |
| η | 0.0002026 | Pa×s | 588.35 | Joback Calculated Property |
| η | 0.0001100 | Pa×s | 660.28 | Joback Calculated Property |
| η | 0.0000674 | Pa×s | 732.20 | Joback Calculated Property |
| η | 0.0000450 | Pa×s | 804.13 | Joback Calculated Property |
| η | 0.0000322 | Pa×s | 876.06 | Joback Calculated Property |
| η | 0.0000242 | Pa×s | 947.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, heptadecyl ester.
Sources
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