- InChI
- InChI=1S/C9H16O2/c1-11-9(10)7-8-5-3-2-4-6-8/h8H,2-7H2,1H3
- InChI Key
- IMXBRVLCKXGWSS-UHFFFAOYSA-N
- Formula
- C9H16O2
- SMILES
- COC(=O)CC1CCCCC1
- Molecular Weight1
- 156.22
- CAS
- 14352-61-5
- Other Names
-
- Cyclohexaneacetic acid, methyl ester
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.3999 | Relay (1.0) Calculated Property | |
| ΔfG° | -184.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -497.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.130 | Crippen Calculated Property | |
| McVol | 134.250 | ml/mol | McGowan Calculated Property |
| Pc | 2982.79 | kPa | Joback Calculated Property |
| Tboil | 474.20 | K | NIST |
| Tc | 681.72 | K | Relay (1.0) Calculated Property |
| Tfus | 230.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.464 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [308.34; 398.17] | J/mol×K | [501.16; 709.61] | 
|
| Cp,gas | 308.34 | J/mol×K | 501.16 | Joback Calculated Property |
| Cp,gas | 325.39 | J/mol×K | 535.90 | Joback Calculated Property |
| Cp,gas | 341.59 | J/mol×K | 570.64 | Joback Calculated Property |
| Cp,gas | 356.96 | J/mol×K | 605.38 | Joback Calculated Property |
| Cp,gas | 371.51 | J/mol×K | 640.12 | Joback Calculated Property |
| Cp,gas | 385.24 | J/mol×K | 674.87 | Joback Calculated Property |
| Cp,gas | 398.17 | J/mol×K | 709.61 | Joback Calculated Property |
| η | [0.0002611; 0.0043071] | Pa×s | [270.73; 501.16] |
|
| η | 0.0043071 | Pa×s | 270.73 | Joback Calculated Property |
| η | 0.0020196 | Pa×s | 309.13 | Joback Calculated Property |
| η | 0.0011196 | Pa×s | 347.54 | Joback Calculated Property |
| η | 0.0006979 | Pa×s | 385.94 | Joback Calculated Property |
| η | 0.0004740 | Pa×s | 424.35 | Joback Calculated Property |
| η | 0.0003432 | Pa×s | 462.75 | Joback Calculated Property |
| η | 0.0002611 | Pa×s | 501.16 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 365.70 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Methylcyclohexylacetate.
Sources
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