- InChI
- InChI=1S/C9H18O3/c1-4-7-8(5-2)12-9(10)11-6-3/h8H,4-7H2,1-3H3
- InChI Key
- JIVCBAWKVJOPHW-UHFFFAOYSA-N
- Formula
- C9H18O3
- SMILES
- CCCC(CC)OC(=O)OCC
- Molecular Weight1
- 174.24
- 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 | -736.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.70 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.738 | Crippen Calculated Property | |
| McVol | 150.980 | ml/mol | McGowan Calculated Property |
| Inp | [1090.00; 1090.00] |
|
|
| Inp | 1090.00 | NIST | |
| Inp | 1090.00 | NIST | |
| Tboil | 452.85 | K | Relay (1.0) Calculated Property |
| Tc | 607.71 | K | Relay (1.0) Calculated Property |
| Tfus | 182.74 | 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 | [227.83; 510.79] | 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 | 4.39340e+01 | |||
| Coefficient B | 7.46760e-01 | |||
| Coefficient C | -2.63400e-04 | |||
| Coefficient D | -1.65000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 227.83 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 274.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 317.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 356.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 391.99 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 423.61 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 451.35 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 475.16 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 494.99 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 510.79 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0063006; 0.0002116] | Pa×s | [240.75; 461.62] |
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 | -1.21596e+01 | |||
| Coefficient B | 1.70751e+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. | 240.75 | |||
| Temperature range, max. | 461.62 | |||
| η | 0.0063006 | Pa×s | 240.75 | Calculated Property |
| η | 0.0032692 | Pa×s | 265.29 | Calculated Property |
| η | 0.0018957 | Pa×s | 289.83 | Calculated Property |
| η | 0.0011968 | Pa×s | 314.37 | Calculated Property |
| η | 0.0008076 | Pa×s | 338.91 | Calculated Property |
| η | 0.0005748 | Pa×s | 363.45 | Calculated Property |
| η | 0.0004270 | Pa×s | 388.00 | Calculated Property |
| η | 0.0003287 | Pa×s | 412.54 | Calculated Property |
| η | 0.0002605 | Pa×s | 437.08 | Calculated Property |
| η | 0.0002116 | Pa×s | 461.62 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl hexan-3-yl carbonate.
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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