- 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 |
|---|---|---|---|---|
| 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [126.68; 357.52] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -6.40800e+01 | |||
| Coefficient B | 8.39200e-01 | |||
| Coefficient C | -5.50800e-04 | |||
| Coefficient D | 1.33200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 126.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 169.77 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 207.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 240.34 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 268.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 292.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 313.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 330.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 345.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 357.52 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0034545; 0.0004221] | Pa×s | [234.73; 450.82] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.00536e+01 | |||
| Coefficient B | 1.02942e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 234.73 | |||
| Temperature range, max. | 450.82 | |||
| η | 0.0034545 | Pa×s | 234.73 | Calculated Property |
| η | 0.0022995 | Pa×s | 258.74 | Calculated Property |
| η | 0.0016403 | Pa×s | 282.75 | Calculated Property |
| η | 0.0012335 | Pa×s | 306.76 | Calculated Property |
| η | 0.0009669 | Pa×s | 330.77 | Calculated Property |
| η | 0.0007832 | Pa×s | 354.78 | Calculated Property |
| η | 0.0006517 | Pa×s | 378.79 | Calculated Property |
| η | 0.0005542 | Pa×s | 402.80 | Calculated Property |
| η | 0.0004800 | Pa×s | 426.81 | Calculated Property |
| η | 0.0004221 | Pa×s | 450.82 | Calculated Property |
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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