- InChI
- InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3
- InChI Key
- CTMHWPIWNRWQEG-UHFFFAOYSA-N
- Formula
- C7H12
- SMILES
- CC1=CCCCC1
- Molecular Weight1
- 96.17
- CAS
- 591-49-1
- Other Names
-
- 1-Methyl-1-cyclohexene
- 1-Methylcyclohex-1-ene
- 1-Methylcyclohexene
- 1-Methylcyclohexene-1
- «alpha»-Methylcyclohexene
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- 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).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2028 | Relay (1.0) Calculated Property | |
| PAff | 825.10 | kJ/mol | NIST |
| BasG | 792.60 | kJ/mol | NIST |
| ΔcH°liquid | [-4388.39; -4381.90] | kJ/mol |
|
| ΔcH°liquid | -4388.39 ± 0.67 | kJ/mol | NIST |
| ΔcH°liquid | -4381.90 | kJ/mol | NIST |
| ΔfH°gas | -81.25 ± 0.79 | kJ/mol | NIST |
| ΔfusH° | 5.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [37.50; 37.80] | kJ/mol |
|
| ΔvapH° | 37.50 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 37.80 | kJ/mol | NIST |
| IE | [8.67; 8.69] | eV |
|
| IE | 8.67 ± 0.02 | eV | NIST |
| IE | 8.67 ± 0.02 | eV | NIST |
| IE | 8.69 ± 0.05 | eV | NIST |
| log10WS | [-3.27; -3.27] |
|
|
| log10WS | -3.27 | Aq. Solubility Prediction | |
| log10WS | -3.27 | Estimated Solubility | |
| logPoct/wat | 2.507 | Crippen Calculated Property | |
| McVol | 94.330 | ml/mol | McGowan Calculated Property |
| Pc | 3569.00 | kPa | KDB |
| Inp | [757.00; 816.00] |
|
|
| Inp | 776.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 771.50 | NIST | |
| Inp | 768.50 | NIST | |
| Inp | 785.30 | NIST | |
| Inp | 780.40 | NIST | |
| Inp | 776.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 776.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 763.00 | NIST | |
| Inp | 763.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 766.40 | NIST | |
| Inp | Outlier 794.00 | NIST | |
| Inp | 761.70 | NIST | |
| Inp | 766.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 763.00 | NIST | |
| Inp | 765.00 | NIST | |
| Inp | 766.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | Outlier 800.00 | NIST | |
| Inp | Outlier 808.00 | NIST | |
| Inp | 758.50 | NIST | |
| Inp | 764.30 | NIST | |
| Inp | 769.30 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 765.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 757.00 | NIST | |
| Inp | 763.00 | NIST | |
| Inp | 766.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 781.00 | NIST | |
| Inp | 766.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | Outlier 807.00 | NIST | |
| Inp | Outlier 816.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 763.90 | NIST | |
| Inp | 765.30 | NIST | |
| Inp | 766.40 | NIST | |
| Inp | 772.90 | NIST | |
| Inp | 763.90 | NIST | |
| Inp | 765.30 | NIST | |
| Inp | 766.40 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 765.00 | NIST | |
| Inp | 763.00 | NIST | |
| Inp | 763.00 | NIST | |
| Inp | 766.00 | NIST | |
| Inp | 764.00 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 766.00 | NIST | |
| Inp | 766.00 | NIST | |
| Inp | 766.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 779.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 779.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 758.00 | NIST | |
| I | [900.00; 932.00] |
|
|
| I | 932.00 | NIST | |
| I | 915.00 | NIST | |
| I | 923.00 | NIST | |
| I | 909.00 | NIST | |
| I | 906.00 | NIST | |
| I | 932.00 | NIST | |
| I | 931.70 | NIST | |
| I | 914.90 | NIST | |
| I | 923.10 | NIST | |
| I | 931.70 | NIST | |
| I | 914.90 | NIST | |
| I | 923.10 | NIST | |
| I | 909.00 | NIST | |
| I | 900.00 | NIST | |
| I | 932.00 | NIST | |
| I | 914.90 | NIST | |
| I | 900.00 | NIST | |
| Tboil | [376.00; 385.00] | K |
|
| Tboil | 383.20 | K | KDB |
| Tboil | 383.50 | K | NIST |
| Tboil | 382.00 ± 1.00 | K | NIST |
| Tboil | 381.00 ± 2.00 | K | NIST |
| Tboil | 383.47 ± 0.30 | K | NIST |
| Tboil | 383.40 ± 0.60 | K | NIST |
| Tboil | 383.00 ± 2.00 | K | NIST |
| Tboil | 381.90 ± 3.00 | K | NIST |
| Tboil | 381.00 ± 4.00 | K | NIST |
| Tboil | 382.00 ± 4.00 | K | NIST |
| Tboil | 383.50 ± 1.00 | K | NIST |
| Tboil | 383.45 ± 0.80 | K | NIST |
| Tboil | 382.30 ± 0.60 | K | NIST |
| Tboil | 384.00 ± 2.00 | K | NIST |
| Tboil | 383.50 ± 0.50 | K | NIST |
| Tboil | 383.45 ± 0.50 | K | NIST |
| Tboil | 383.00 ± 4.00 | K | NIST |
| Tboil | 385.00 ± 3.00 | K | NIST |
| Tboil | 378.00 ± 4.00 | K | NIST |
| Tboil | Outlier 376.00 ± 16.00 | K | NIST |
| Tboil | 378.00 ± 5.00 | K | NIST |
| Tboil | 382.00 ± 6.00 | K | NIST |
| Tc | 584.20 | K | KDB |
| Tfus | [152.15; 152.87] | K |
|
| Tfus | 152.20 | K | KDB |
| Tfus | 152.87 | K | Aq. Solubility Prediction |
| Tfus | 152.71 ± 0.04 | K | NIST |
| Tfus | 152.75 ± 0.03 | K | NIST |
| Tfus | 152.70 ± 0.05 | K | NIST |
| Tfus | 152.20 ± 0.50 | K | NIST |
| Tfus | 152.15 ± 1.00 | K | NIST |
| Vc | 0.354 | m3/kmol | KDB |
| Zc | 0.2598130 | KDB |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [162.31; 237.03] | J/mol×K | [387.92; 594.92] |
|
| Cp,gas | 162.31 | J/mol×K | 387.92 | Joback Calculated Property |
| Cp,gas | 176.48 | J/mol×K | 422.42 | Joback Calculated Property |
| Cp,gas | 189.93 | J/mol×K | 456.92 | Joback Calculated Property |
| Cp,gas | 202.69 | J/mol×K | 491.42 | Joback Calculated Property |
| Cp,gas | 214.78 | J/mol×K | 525.92 | Joback Calculated Property |
| Cp,gas | 226.22 | J/mol×K | 560.42 | Joback Calculated Property |
| Cp,gas | 237.03 | J/mol×K | 594.92 | Joback Calculated Property |
| η | [0.0002593; 0.0057112] | Pa×s | [193.55; 387.92] |
|
| η | 0.0057112 | Pa×s | 193.55 | Joback Calculated Property |
| η | 0.0023575 | Pa×s | 225.94 | Joback Calculated Property |
| η | 0.0012149 | Pa×s | 258.34 | Joback Calculated Property |
| η | 0.0007258 | Pa×s | 290.74 | Joback Calculated Property |
| η | 0.0004807 | Pa×s | 323.13 | Joback Calculated Property |
| η | 0.0003433 | Pa×s | 355.52 | Joback Calculated Property |
| η | 0.0002593 | Pa×s | 387.92 | Joback Calculated Property |
| ΔvapH | [35.70; 37.70] | kJ/mol | [294.00; 358.50] |
|
| ΔvapH | 37.70 ± 0.20 | kJ/mol | 294.00 | NIST |
| ΔvapH | 36.70 | kJ/mol | 346.50 | NIST |
| ΔvapH | 35.70 | kJ/mol | 358.50 | NIST |
| ρl | 807.84 | kg/m3 | 293.10 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [278.77; 408.03] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40387e+01 | |||
| Coefficient B | -3.08782e+03 | |||
| Coefficient C | -5.42180e+01 | |||
| Temperature range, min. | 278.77 | |||
| Temperature range, max. | 408.03 | |||
| Pvap | 1.33 | kPa | 278.77 | Calculated Property |
| Pvap | 3.05 | kPa | 293.13 | Calculated Property |
| Pvap | 6.34 | kPa | 307.49 | Calculated Property |
| Pvap | 12.20 | kPa | 321.86 | Calculated Property |
| Pvap | 21.95 | kPa | 336.22 | Calculated Property |
| Pvap | 37.32 | kPa | 350.58 | Calculated Property |
| Pvap | 60.41 | kPa | 364.94 | Calculated Property |
| Pvap | 93.71 | kPa | 379.31 | Calculated Property |
| Pvap | 140.07 | kPa | 393.67 | Calculated Property |
| Pvap | 202.63 | kPa | 408.03 | Calculated Property |
| Pvap | [19.00; 103.32] | kPa | [333.15; 384.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 8.21289e+01 | |||
| Coefficient B | -7.17350e+03 | |||
| Coefficient C | -1.00656e+01 | |||
| Coefficient D | 7.33952e-06 | |||
| Temperature range, min. | 333.15 | |||
| Temperature range, max. | 384.15 | |||
| Pvap | 19.00 | kPa | 333.15 | Calculated Property |
| Pvap | 23.63 | kPa | 338.82 | Calculated Property |
| Pvap | 29.15 | kPa | 344.48 | Calculated Property |
| Pvap | 35.66 | kPa | 350.15 | Calculated Property |
| Pvap | 43.30 | kPa | 355.82 | Calculated Property |
| Pvap | 52.20 | kPa | 361.48 | Calculated Property |
| Pvap | 62.49 | kPa | 367.15 | Calculated Property |
| Pvap | 74.34 | kPa | 372.82 | Calculated Property |
| Pvap | 87.89 | kPa | 378.48 | Calculated Property |
| Pvap | 103.32 | kPa | 384.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexene, 1-methyl-.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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