- 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
- 296.40
- 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° | 89.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -250.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.15 | kJ/mol | Joback Calculated Property |
| log10WS | -6.42 | Crippen Calculated Property | |
| logPoct/wat | 5.201 | Crippen Calculated Property | |
| McVol | 252.580 | ml/mol | McGowan Calculated Property |
| Pc | 1652.46 | kPa | Joback Calculated Property |
| Inp | 2391.00 | NIST | |
| Tboil | 796.61 | K | Joback Calculated Property |
| Tc | 1016.59 | K | Joback Calculated Property |
| Tfus | 465.20 | K | Joback Calculated Property |
| Vc | 0.964 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [737.27; 820.46] | J/mol×K | [796.61; 1016.59] | 
|
| Cp,gas | 737.27 | J/mol×K | 796.61 | Joback Calculated Property |
| Cp,gas | 754.01 | J/mol×K | 833.27 | Joback Calculated Property |
| Cp,gas | 769.54 | J/mol×K | 869.94 | Joback Calculated Property |
| Cp,gas | 783.90 | J/mol×K | 906.60 | Joback Calculated Property |
| Cp,gas | 797.14 | J/mol×K | 943.26 | Joback Calculated Property |
| Cp,gas | 809.31 | J/mol×K | 979.93 | Joback Calculated Property |
| Cp,gas | 820.46 | J/mol×K | 1016.59 | Joback Calculated Property |
| η | [0.0000767; 0.0007341] | Pa×s | [465.20; 796.61] |
|
| η | 0.0007341 | Pa×s | 465.20 | Joback Calculated Property |
| η | 0.0004125 | Pa×s | 520.44 | Joback Calculated Property |
| η | 0.0002589 | Pa×s | 575.67 | Joback Calculated Property |
| η | 0.0001763 | Pa×s | 630.90 | Joback Calculated Property |
| η | 0.0001277 | Pa×s | 686.14 | Joback Calculated Property |
| η | 0.0000971 | Pa×s | 741.38 | Joback Calculated Property |
| η | 0.0000767 | Pa×s | 796.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, 2-propylphenyl ester.
Sources
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