- 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [342.62; 417.11] | J/mol×K | [485.72; 659.46] |
|
| Cp,gas | 342.62 | J/mol×K | 485.72 | Joback Calculated Property |
| Cp,gas | 356.25 | J/mol×K | 514.68 | Joback Calculated Property |
| Cp,gas | 369.40 | J/mol×K | 543.63 | Joback Calculated Property |
| Cp,gas | 382.06 | J/mol×K | 572.59 | Joback Calculated Property |
| Cp,gas | 394.24 | J/mol×K | 601.54 | Joback Calculated Property |
| Cp,gas | 405.92 | J/mol×K | 630.50 | Joback Calculated Property |
| Cp,gas | 417.11 | J/mol×K | 659.46 | Joback Calculated Property |
| η | [0.0001762; 0.0063006] | Pa×s | [240.75; 485.72] |
|
| η | 0.0063006 | Pa×s | 240.75 | Joback Calculated Property |
| η | 0.0022530 | Pa×s | 281.58 | Joback Calculated Property |
| η | 0.0010453 | Pa×s | 322.41 | Joback Calculated Property |
| η | 0.0005764 | Pa×s | 363.24 | Joback Calculated Property |
| η | 0.0003585 | Pa×s | 404.06 | Joback Calculated Property |
| η | 0.0002432 | Pa×s | 444.89 | Joback Calculated Property |
| η | 0.0001762 | Pa×s | 485.72 | Joback 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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