- InChI
- InChI=1S/C7H12O2/c8-6-9-7-4-2-1-3-5-7/h6-7H,1-5H2
- InChI Key
- VUXKVKAHWOVIDN-UHFFFAOYSA-N
- Formula
- C7H12O2
- SMILES
- O=COC1CCCCC1
- Molecular Weight1
- 128.17
- CAS
- 4351-54-6
- Other Names
-
- Cyclohexyl ester of formic acid
- Formic acid, cyclohexyl ester (purified)
- cyclohexyl formate
- cyclohexyl methanoate
- methanoic acid, cyclohexyl 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -409.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [49.30; 52.00] | kJ/mol |
|
| ΔvapH° | 49.30 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 52.00 ± 1.30 | kJ/mol | NIST |
| ΔvapH° | 49.50 ± 1.20 | kJ/mol | NIST |
| IE | 10.16 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.492 | Crippen Calculated Property | |
| McVol | 106.070 | ml/mol | McGowan Calculated Property |
| Inp | 951.00 | NIST | |
| I | [1304.00; 1305.00] |
|
|
| I | 1304.00 | NIST | |
| I | 1305.00 | NIST | |
| I | 1304.00 | NIST | |
| Tboil | 428.28 | K | Relay (1.0) Calculated Property |
| Tfus | 234.21 | K | Relay (1.0) Calculated Property |
| Ttriple | 201.33 ± 0.15 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [208.51; 283.51] | J/mol×K | [436.83; 644.03] |
|
| Cp,gas | 208.51 | J/mol×K | 436.83 | Joback Calculated Property |
| Cp,gas | 223.06 | J/mol×K | 471.36 | Joback Calculated Property |
| Cp,gas | 236.75 | J/mol×K | 505.90 | Joback Calculated Property |
| Cp,gas | 249.60 | J/mol×K | 540.43 | Joback Calculated Property |
| Cp,gas | 261.66 | J/mol×K | 574.96 | Joback Calculated Property |
| Cp,gas | 272.95 | J/mol×K | 609.50 | Joback Calculated Property |
| Cp,gas | 283.51 | J/mol×K | 644.03 | Joback Calculated Property |
| η | [0.0004542; 0.0034545] | Pa×s | [234.73; 436.83] |
|
| η | 0.0034545 | Pa×s | 234.73 | Joback Calculated Property |
| η | 0.0019924 | Pa×s | 268.41 | Joback Calculated Property |
| η | 0.0012991 | Pa×s | 302.10 | Joback Calculated Property |
| η | 0.0009230 | Pa×s | 335.78 | Joback Calculated Property |
| η | 0.0006979 | Pa×s | 369.46 | Joback Calculated Property |
| η | 0.0005530 | Pa×s | 403.15 | Joback Calculated Property |
| η | 0.0004542 | Pa×s | 436.83 | Joback Calculated Property |
| ΔfusH | 10.49 | kJ/mol | 201.30 | NIST |
| ΔvapH | [47.10; 48.82] | kJ/mol | [303.52; 370.50] |
|
| ΔvapH | 48.82 | kJ/mol | 303.52 | Comprehensive Study of Vapor Pressures and Enthalpies of Vaporization of Cyclohexyl Esters |
| ΔvapH | 47.10 | kJ/mol | 370.50 | NIST |
Similar Compounds
Find more compounds similar to Formic acid, cyclohexyl ester.
Mixtures
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Measurements and Correlation of Liquid-Liquid Equilibria for the Ternary System Cyclohexanol + Water + Cyclohexyl Formate at 298.2-338.2 K
- Comprehensive Study of Vapor Pressures and Enthalpies of Vaporization of Cyclohexyl Esters
- Joback Method
- McGowan Method
- NIST Webbook
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