- InChI
- InChI=1S/C9H16O3/c1-3-4-5-6-7-8-12-9(10)11-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+
- InChI Key
- ZFVYNLVUYYMQBY-WAYWQWQTSA-N
- Formula
- C9H16O3
- SMILES
- CCC/C=C\CCOC(=O)OC
- Molecular Weight1
- 172.22
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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).
- 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 |
|---|---|---|---|
| ΔfusH° | 24.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.516 | Crippen Calculated Property | |
| McVol | 146.680 | ml/mol | McGowan Calculated Property |
| Inp | 1073.00 | NIST | |
| I | [1475.00; 1475.00] |
|
|
| I | 1475.00 | NIST | |
| I | 1475.00 | NIST | |
| Tboil | 465.98 | K | Relay (1.0) Calculated Property |
| Tc | 641.57 | K | Relay (1.0) Calculated Property |
| Tfus | 190.66 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [214.14; 479.67] | 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 | 3.14340e+01 | |||
| Coefficient B | 7.60840e-01 | |||
| Coefficient C | -3.44000e-04 | |||
| Coefficient D | 3.14000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 214.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 258.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 299.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 336.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 369.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 398.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 424.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 446.04 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 464.53 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 479.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0038600; 0.0001834] | Pa×s | [250.67; 467.70] |
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 | -1.21232e+01 | |||
| Coefficient B | 1.64593e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 250.67 | |||
| Temperature range, max. | 467.70 | |||
| η | 0.0038600 | Pa×s | 250.67 | Calculated Property |
| η | 0.0021694 | Pa×s | 274.78 | Calculated Property |
| η | 0.0013381 | Pa×s | 298.90 | Calculated Property |
| η | 0.0008870 | Pa×s | 323.01 | Calculated Property |
| η | 0.0006226 | Pa×s | 347.13 | Calculated Property |
| η | 0.0004576 | Pa×s | 371.24 | Calculated Property |
| η | 0.0003491 | Pa×s | 395.35 | Calculated Property |
| η | 0.0002748 | Pa×s | 419.47 | Calculated Property |
| η | 0.0002220 | Pa×s | 443.58 | Calculated Property |
| η | 0.0001834 | Pa×s | 467.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Methyl (Z)-3-hexenyl 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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