- InChI
- InChI=1S/C9H16O2/c1-8(10)11-9(2)6-4-3-5-7-9/h3-7H2,1-2H3
- InChI Key
- VVDZWMOQABVVHC-UHFFFAOYSA-N
- Formula
- C9H16O2
- SMILES
- CC(=O)OC1(C)CCCCC1
- Molecular Weight1
- 156.22
- CAS
- 16737-30-7
- Other Names
-
- 1-Methylcyclohexyl acetate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -190.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -404.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.40 | kJ/mol | NIST |
| log10WS | -2.46 | Crippen Calculated Property | |
| logPoct/wat | 2.272 | Crippen Calculated Property | |
| McVol | 134.250 | ml/mol | McGowan Calculated Property |
| Pc | 3135.00 | kPa | Joback Calculated Property |
| Tboil | 501.40 | K | Joback Calculated Property |
| Tc | 718.78 | K | Joback Calculated Property |
| Tfus | 294.63 | K | Joback Calculated Property |
| Vc | 0.494 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [308.50; 396.78] | J/mol×K | [501.40; 718.78] | 
|
| Cp,gas | 308.50 | J/mol×K | 501.40 | Joback Calculated Property |
| Cp,gas | 325.53 | J/mol×K | 537.63 | Joback Calculated Property |
| Cp,gas | 341.50 | J/mol×K | 573.86 | Joback Calculated Property |
| Cp,gas | 356.52 | J/mol×K | 610.09 | Joback Calculated Property |
| Cp,gas | 370.67 | J/mol×K | 646.32 | Joback Calculated Property |
| Cp,gas | 384.06 | J/mol×K | 682.55 | Joback Calculated Property |
| Cp,gas | 396.78 | J/mol×K | 718.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanol, 1-methyl-, acetate.
Sources
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