- InChI
- InChI=1S/C19H28O3/c1-3-5-6-15-7-9-16(10-8-15)19(20)22-18-13-11-17(12-14-18)21-4-2/h11-16H,3-10H2,1-2H3/t15-,16-
- InChI Key
- JAYBMJPZPJBTQZ-WKILWMFISA-N
- Formula
- C19H28O3
- SMILES
-
CCCCC1CCC(C(=O)Oc2ccc(OCC)cc2)
CC1 - Molecular Weight1
- 304.42
- CAS
- 67589-47-3
- Other Names
-
- trans-4-Butylcyclohexanecarboxylic acid, 4-ethoxyphenyl ester
- 4-ethoxyphenyl trans-4-butylcyclohexanoate
- 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).
- 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° | -110.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -553.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.51 | kJ/mol | Joback Calculated Property |
| log10WS | -5.50 | Crippen Calculated Property | |
| logPoct/wat | 4.987 | Crippen Calculated Property | |
| McVol | 257.260 | ml/mol | McGowan Calculated Property |
| Pc | 1568.47 | kPa | Joback Calculated Property |
| Tboil | 779.37 | K | Joback Calculated Property |
| Tc | 994.17 | K | Joback Calculated Property |
| Tfus | 440.36 | K | Joback Calculated Property |
| Vc | 0.966 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [796.87; 893.81] | J/mol×K | [779.37; 994.17] | 
|
| Cp,gas | 796.87 | J/mol×K | 779.37 | Joback Calculated Property |
| Cp,gas | 816.59 | J/mol×K | 815.17 | Joback Calculated Property |
| Cp,gas | 834.86 | J/mol×K | 850.97 | Joback Calculated Property |
| Cp,gas | 851.69 | J/mol×K | 886.77 | Joback Calculated Property |
| Cp,gas | 867.12 | J/mol×K | 922.57 | Joback Calculated Property |
| Cp,gas | 881.15 | J/mol×K | 958.37 | Joback Calculated Property |
| Cp,gas | 893.81 | J/mol×K | 994.17 | Joback Calculated Property |
| η | [0.0000851; 0.0009556] | Pa×s | [440.36; 779.37] |
|
| η | 0.0009556 | Pa×s | 440.36 | Joback Calculated Property |
| η | 0.0005078 | Pa×s | 496.86 | Joback Calculated Property |
| η | 0.0003070 | Pa×s | 553.36 | Joback Calculated Property |
| η | 0.0002038 | Pa×s | 609.87 | Joback Calculated Property |
| η | 0.0001450 | Pa×s | 666.37 | Joback Calculated Property |
| η | 0.0001088 | Pa×s | 722.87 | Joback Calculated Property |
| η | 0.0000851 | Pa×s | 779.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxylic acid, 4-butyl-, 4-ethoxyphenyl ester, trans-.
Sources
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