- 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.
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 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.49; 395.58] | J/mol×K | [490.32; 668.14] | 
|
| Cp,gas | 325.49 | J/mol×K | 490.32 | Joback Calculated Property |
| Cp,gas | 338.45 | J/mol×K | 519.96 | Joback Calculated Property |
| Cp,gas | 350.89 | J/mol×K | 549.59 | Joback Calculated Property |
| Cp,gas | 362.82 | J/mol×K | 579.23 | Joback Calculated Property |
| Cp,gas | 374.24 | J/mol×K | 608.86 | Joback Calculated Property |
| Cp,gas | 385.16 | J/mol×K | 638.50 | Joback Calculated Property |
| Cp,gas | 395.58 | J/mol×K | 668.14 | Joback Calculated Property |
| η | [0.0001559; 0.0038600] | Pa×s | [250.67; 490.32] |
|
| η | 0.0038600 | Pa×s | 250.67 | Joback Calculated Property |
| η | 0.0015655 | Pa×s | 290.61 | Joback Calculated Property |
| η | 0.0007897 | Pa×s | 330.55 | Joback Calculated Property |
| η | 0.0004617 | Pa×s | 370.50 | Joback Calculated Property |
| η | 0.0002996 | Pa×s | 410.44 | Joback Calculated Property |
| η | 0.0002099 | Pa×s | 450.38 | Joback Calculated Property |
| η | 0.0001559 | Pa×s | 490.32 | Joback 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
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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