- 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).
- Ip : 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 |
| Ip | [1549.30; 1578.50] |
|
|
| Ip | 1549.30 | NIST | |
| Ip | 1549.30 | NIST | |
| Ip | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [170.70; 442.49] | 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 | -2.34100e+01 | |||
| Coefficient B | 8.10640e-01 | |||
| Coefficient C | -3.72440e-04 | |||
| Coefficient D | 2.77000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 170.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 217.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 260.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 299.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 333.34 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 363.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 389.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 410.77 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 428.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 442.49 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0040803; 0.0002314] | Pa×s | [254.18; 487.30] |
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 | -1.15007e+01 | |||
| Coefficient B | 1.52485e+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. | 254.18 | |||
| Temperature range, max. | 487.30 | |||
| η | 0.0040803 | Pa×s | 254.18 | Calculated Property |
| η | 0.0023428 | Pa×s | 280.08 | Calculated Property |
| η | 0.0014777 | Pa×s | 305.98 | Calculated Property |
| η | 0.0010015 | Pa×s | 331.89 | Calculated Property |
| η | 0.0007182 | Pa×s | 357.79 | Calculated Property |
| η | 0.0005386 | Pa×s | 383.69 | Calculated Property |
| η | 0.0004189 | Pa×s | 409.59 | Calculated Property |
| η | 0.0003357 | Pa×s | 435.50 | Calculated Property |
| η | 0.0002758 | Pa×s | 461.40 | Calculated Property |
| η | 0.0002314 | Pa×s | 487.30 | 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
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