- InChI
- InChI=1S/C9H14O2/c1-7-4-3-5-8(6-7)9(10)11-2/h4,8H,3,5-6H2,1-2H3
- InChI Key
- ALWNXIRSKYWVFP-UHFFFAOYSA-N
- Formula
- C9H14O2
- SMILES
- COC(=O)C1CCC=C(C)C1
- Molecular Weight1
- 154.21
- 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).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -348.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.15 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.906 | Crippen Calculated Property | |
| McVol | 129.950 | ml/mol | McGowan Calculated Property |
| I | [1549.30; 1578.50] |
|
|
| I | 1549.30 | NIST | |
| I | 1549.30 | NIST | |
| I | 1578.50 | NIST | |
| Tboil | 464.16 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, 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 | [286.44; 369.77] | J/mol×K | [487.43; 696.15] |
|
| Cp,gas | 286.44 | J/mol×K | 487.43 | Joback Calculated Property |
| Cp,gas | 302.30 | J/mol×K | 522.22 | Joback Calculated Property |
| Cp,gas | 317.35 | J/mol×K | 557.00 | Joback Calculated Property |
| Cp,gas | 331.62 | J/mol×K | 591.79 | Joback Calculated Property |
| Cp,gas | 345.11 | J/mol×K | 626.57 | Joback Calculated Property |
| Cp,gas | 357.82 | J/mol×K | 661.36 | Joback Calculated Property |
| Cp,gas | 369.77 | J/mol×K | 696.15 | Joback Calculated Property |
| η | [0.0002312; 0.0040803] | Pa×s | [254.18; 487.43] |
|
| η | 0.0040803 | Pa×s | 254.18 | Joback Calculated Property |
| η | 0.0018411 | Pa×s | 293.06 | Joback Calculated Property |
| η | 0.0010010 | Pa×s | 331.93 | Joback Calculated Property |
| η | 0.0006184 | Pa×s | 370.80 | Joback Calculated Property |
| η | 0.0004186 | Pa×s | 409.68 | Joback Calculated Property |
| η | 0.0003032 | Pa×s | 448.55 | Joback Calculated Property |
| η | 0.0002312 | Pa×s | 487.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-carbomethoxy-3-methylcyclohex-3-ene.
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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