- InChI
- InChI=1S/C14H18O3/c1-16-12-7-9-13(10-8-12)17-14(15)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3
- InChI Key
- FRLVVPHULLQDHW-UHFFFAOYSA-N
- Formula
- C14H18O3
- SMILES
- COc1ccc(OC(=O)C2CCCCC2)cc1
- Molecular Weight1
- 234.29
- 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° | -144.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -429.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.69 | kJ/mol | Joback Calculated Property |
| log10WS | -3.65 | Crippen Calculated Property | |
| logPoct/wat | 3.181 | Crippen Calculated Property | |
| McVol | 186.810 | ml/mol | McGowan Calculated Property |
| Pc | 2470.27 | kPa | Joback Calculated Property |
| Inp | [1862.00; 1862.00] |
|
|
| Inp | 1862.00 | NIST | |
| Inp | 1862.00 | NIST | |
| Tboil | 669.64 | K | Joback Calculated Property |
| Tc | 902.28 | K | Joback Calculated Property |
| Tfus | 388.25 | K | Joback Calculated Property |
| Vc | 0.686 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [513.12; 605.80] | J/mol×K | [669.64; 902.28] |
|
| Cp,gas | 513.12 | J/mol×K | 669.64 | Joback Calculated Property |
| Cp,gas | 531.84 | J/mol×K | 708.41 | Joback Calculated Property |
| Cp,gas | 549.23 | J/mol×K | 747.19 | Joback Calculated Property |
| Cp,gas | 565.30 | J/mol×K | 785.96 | Joback Calculated Property |
| Cp,gas | 580.08 | J/mol×K | 824.73 | Joback Calculated Property |
| Cp,gas | 593.57 | J/mol×K | 863.50 | Joback Calculated Property |
| Cp,gas | 605.80 | J/mol×K | 902.28 | Joback Calculated Property |
| η | [0.0001251; 0.0013915] | Pa×s | [388.25; 669.64] |
|
| η | 0.0013915 | Pa×s | 388.25 | Joback Calculated Property |
| η | 0.0007502 | Pa×s | 435.15 | Joback Calculated Property |
| η | 0.0004562 | Pa×s | 482.05 | Joback Calculated Property |
| η | 0.0003029 | Pa×s | 528.95 | Joback Calculated Property |
| η | 0.0002150 | Pa×s | 575.84 | Joback Calculated Property |
| η | 0.0001607 | Pa×s | 622.74 | Joback Calculated Property |
| η | 0.0001251 | Pa×s | 669.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxylic acid, 4-methoxyphenyl ester.
Sources
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