- InChI
- InChI=1S/C19H30O2/c1-3-5-7-8-9-10-16-21-19(20)18-14-12-17(13-15-18)11-6-4-2/h12-15H,3-11,16H2,1-2H3
- InChI Key
- WOHCEFXPFWWXKJ-UHFFFAOYSA-N
- Formula
- C19H30O2
- SMILES
- CCCCCCCCOC(=O)c1ccc(CCCC)cc1
- Molecular Weight1
- 290.45
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8996 | Relay (1.0) Calculated Property | |
| ΔfG° | -98.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -521.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.546 | Crippen Calculated Property | |
| McVol | 262.250 | ml/mol | McGowan Calculated Property |
| Pc | 1350.65 | kPa | Joback Calculated Property |
| Inp | [2220.00; 2220.00] |
|
|
| Inp | 2220.00 | NIST | |
| Inp | 2220.00 | NIST | |
| Tboil | 620.09 | K | Relay (1.0) Calculated Property |
| Tc | 812.66 | K | Relay (1.0) Calculated Property |
| Tfus | 261.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.998 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [760.44; 854.36] | J/mol×K | [724.20; 913.78] |
|
| Cp,gas | 760.44 | J/mol×K | 724.20 | Joback Calculated Property |
| Cp,gas | 778.59 | J/mol×K | 755.80 | Joback Calculated Property |
| Cp,gas | 795.70 | J/mol×K | 787.39 | Joback Calculated Property |
| Cp,gas | 811.80 | J/mol×K | 818.99 | Joback Calculated Property |
| Cp,gas | 826.93 | J/mol×K | 850.59 | Joback Calculated Property |
| Cp,gas | 841.10 | J/mol×K | 882.18 | Joback Calculated Property |
| Cp,gas | 854.36 | J/mol×K | 913.78 | Joback Calculated Property |
| η | [0.0000751; 0.0015153] | Pa×s | [385.16; 724.20] |
|
| η | 0.0015153 | Pa×s | 385.16 | Joback Calculated Property |
| η | 0.0006668 | Pa×s | 441.67 | Joback Calculated Property |
| η | 0.0003535 | Pa×s | 498.17 | Joback Calculated Property |
| η | 0.0002132 | Pa×s | 554.68 | Joback Calculated Property |
| η | 0.0001412 | Pa×s | 611.19 | Joback Calculated Property |
| η | 0.0001003 | Pa×s | 667.69 | Joback Calculated Property |
| η | 0.0000751 | Pa×s | 724.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, octyl ester.
Sources
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