- InChI
- InChI=1S/C10H18O3/c1-2-12-10(11)13-8-9-6-4-3-5-7-9/h9H,2-8H2,1H3
- InChI Key
- SDJYCGZAOAKUKM-UHFFFAOYSA-N
- Formula
- C10H18O3
- SMILES
- CCOC(=O)OCC1CCCCC1
- Molecular Weight1
- 186.25
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (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 | -682.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.08 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.740 | Crippen Calculated Property | |
| McVol | 154.210 | ml/mol | McGowan Calculated Property |
| Inp | [1296.00; 1296.00] |
|
|
| Inp | 1296.00 | NIST | |
| Inp | 1296.00 | NIST | |
| Tboil | 515.54 | K | Relay (1.0) Calculated Property |
| Tc | 687.56 | K | Relay (1.0) Calculated Property |
| Tfus | 225.79 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [211.24; 546.92] | 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 | -2.08980e+01 | |||
| Coefficient B | 9.57920e-01 | |||
| Coefficient C | -3.95600e-04 | |||
| Coefficient D | 5.50000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 211.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 268.72 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 321.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 368.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 410.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 447.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 480.18 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 507.40 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 529.65 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 546.92 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0049816; 0.0002066] | Pa×s | [274.40; 510.58] |
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 | -1.21829e+01 | |||
| Coefficient B | 1.88812e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 274.40 | |||
| Temperature range, max. | 510.58 | |||
| η | 0.0049816 | Pa×s | 274.40 | Calculated Property |
| η | 0.0027323 | Pa×s | 300.64 | Calculated Property |
| η | 0.0016503 | Pa×s | 326.88 | Calculated Property |
| η | 0.0010744 | Pa×s | 353.13 | Calculated Property |
| η | 0.0007422 | Pa×s | 379.37 | Calculated Property |
| η | 0.0005379 | Pa×s | 405.61 | Calculated Property |
| η | 0.0004053 | Pa×s | 431.85 | Calculated Property |
| η | 0.0003155 | Pa×s | 458.09 | Calculated Property |
| η | 0.0002524 | Pa×s | 484.34 | Calculated Property |
| η | 0.0002066 | Pa×s | 510.58 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, ethyl cyclohexylmethyl ester.
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
- Joback Method
- McGowan Method
- NIST Webbook
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