- 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
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -497.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.81 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.130 | Crippen Calculated Property | |
| McVol | 134.250 | ml/mol | McGowan Calculated Property |
| Pc | 2853.57 | kPa | Joback Calculated Property |
| Tboil | 474.20 | K | NIST |
| Tfus | 225.71 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.94; 393.66] | J/mol×K | [483.29; 688.69] | 
|
| Cp,gas | 301.94 | J/mol×K | 483.29 | Joback Calculated Property |
| Cp,gas | 319.40 | J/mol×K | 517.52 | Joback Calculated Property |
| Cp,gas | 335.97 | J/mol×K | 551.76 | Joback Calculated Property |
| Cp,gas | 351.67 | J/mol×K | 585.99 | Joback Calculated Property |
| Cp,gas | 366.51 | J/mol×K | 620.23 | Joback Calculated Property |
| Cp,gas | 380.50 | J/mol×K | 654.46 | Joback Calculated Property |
| Cp,gas | 393.66 | J/mol×K | 688.69 | Joback Calculated Property |
| η | [0.0002450; 0.0079578] | Pa×s | [240.90; 483.29] |
|
| η | 0.0079578 | Pa×s | 240.90 | Joback Calculated Property |
| η | 0.0029372 | Pa×s | 281.30 | Joback Calculated Property |
| η | 0.0013925 | Pa×s | 321.70 | Joback Calculated Property |
| η | 0.0007798 | Pa×s | 362.09 | Joback Calculated Property |
| η | 0.0004906 | Pa×s | 402.49 | Joback Calculated Property |
| η | 0.0003359 | Pa×s | 442.89 | Joback Calculated Property |
| η | 0.0002450 | Pa×s | 483.29 | 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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