- InChI
- InChI=1S/C14H18O2/c1-11-6-5-9-13(10-11)16-14(15)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3
- InChI Key
- WSOGYYKXYMIDJU-UHFFFAOYSA-N
- Formula
- C14H18O2
- SMILES
- Cc1cccc(OC(=O)C2CCCCC2)c1
- Molecular Weight1
- 218.29
- CAS
- 18731-59-4
- Other Names
-
- 3-methylphenyl cyclohexanecarboxylate
- 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° | -39.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -297.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.28 | kJ/mol | Joback Calculated Property |
| log10WS | -4.01 | Crippen Calculated Property | |
| logPoct/wat | 3.481 | Crippen Calculated Property | |
| McVol | 180.940 | ml/mol | McGowan Calculated Property |
| Pc | 2512.55 | kPa | Joback Calculated Property |
| Inp | [1697.00; 1697.00] |
|
|
| Inp | 1697.00 | NIST | |
| Inp | 1697.00 | NIST | |
| Tboil | 647.22 | K | Joback Calculated Property |
| Tc | 883.33 | K | Joback Calculated Property |
| Tfus | 366.02 | K | Joback Calculated Property |
| Vc | 0.668 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [485.45; 581.47] | J/mol×K | [647.22; 883.33] |
|
| Cp,gas | 485.45 | J/mol×K | 647.22 | Joback Calculated Property |
| Cp,gas | 504.77 | J/mol×K | 686.57 | Joback Calculated Property |
| Cp,gas | 522.71 | J/mol×K | 725.92 | Joback Calculated Property |
| Cp,gas | 539.31 | J/mol×K | 765.27 | Joback Calculated Property |
| Cp,gas | 554.61 | J/mol×K | 804.63 | Joback Calculated Property |
| Cp,gas | 568.65 | J/mol×K | 843.98 | Joback Calculated Property |
| Cp,gas | 581.47 | J/mol×K | 883.33 | Joback Calculated Property |
| η | [0.0001594; 0.0019353] | Pa×s | [366.02; 647.22] |
|
| η | 0.0019353 | Pa×s | 366.02 | Joback Calculated Property |
| η | 0.0010080 | Pa×s | 412.89 | Joback Calculated Property |
| η | 0.0005997 | Pa×s | 459.75 | Joback Calculated Property |
| η | 0.0003927 | Pa×s | 506.62 | Joback Calculated Property |
| η | 0.0002763 | Pa×s | 553.49 | Joback Calculated Property |
| η | 0.0002054 | Pa×s | 600.35 | Joback Calculated Property |
| η | 0.0001594 | Pa×s | 647.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxylic acid, 3-methylphenyl ester.
Sources
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