- InChI
- InChI=1S/C20H24O2/c1-3-5-9-16-12-14-18(15-13-16)20(21)22-19-11-7-6-10-17(19)8-4-2/h6-7,10-15H,3-5,8-9H2,1-2H3
- InChI Key
- FUHJNUGUFXFGCO-UHFFFAOYSA-N
- Formula
- C20H24O2
- SMILES
-
CCCCc1ccc(C(=O)Oc2ccccc2CCC)cc
1 - Molecular Weight1
- 296.41
- 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 | 0.8371 | Relay (1.0) Calculated Property | |
| ΔfG° | 12.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -319.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.201 | Crippen Calculated Property | |
| McVol | 252.580 | ml/mol | McGowan Calculated Property |
| Pc | 1598.72 | kPa | Joback Calculated Property |
| Inp | 2391.00 | NIST | |
| Tboil | 644.43 | K | Relay (1.0) Calculated Property |
| Tc | 875.51 | K | Relay (1.0) Calculated Property |
| Tfus | 282.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.935 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [731.45; 815.24] | J/mol×K | [778.74; 996.95] | 
|
| Cp,gas | 731.45 | J/mol×K | 778.74 | Joback Calculated Property |
| Cp,gas | 748.42 | J/mol×K | 815.11 | Joback Calculated Property |
| Cp,gas | 764.13 | J/mol×K | 851.48 | Joback Calculated Property |
| Cp,gas | 778.61 | J/mol×K | 887.84 | Joback Calculated Property |
| Cp,gas | 791.93 | J/mol×K | 924.21 | Joback Calculated Property |
| Cp,gas | 804.12 | J/mol×K | 960.58 | Joback Calculated Property |
| Cp,gas | 815.24 | J/mol×K | 996.95 | Joback Calculated Property |
| η | [0.0000673; 0.0008889] | Pa×s | [435.37; 778.74] |
|
| η | 0.0008889 | Pa×s | 435.37 | Joback Calculated Property |
| η | 0.0004504 | Pa×s | 492.60 | Joback Calculated Property |
| η | 0.0002629 | Pa×s | 549.83 | Joback Calculated Property |
| η | 0.0001699 | Pa×s | 607.06 | Joback Calculated Property |
| η | 0.0001183 | Pa×s | 664.28 | Joback Calculated Property |
| η | 0.0000873 | Pa×s | 721.51 | Joback Calculated Property |
| η | 0.0000673 | Pa×s | 778.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, 2-propylphenyl ester.
Sources
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