- 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.
- Ip : 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 | 0.2576 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| 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 | [3566.64; 3569.00] | kPa |
|
| Pc | 3566.64 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| 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 | |
| Ip | [900.00; 932.00] |
|
|
| Ip | 932.00 | NIST | |
| Ip | 915.00 | NIST | |
| Ip | 923.00 | NIST | |
| Ip | 909.00 | NIST | |
| Ip | 906.00 | NIST | |
| Ip | 932.00 | NIST | |
| Ip | 931.70 | NIST | |
| Ip | 914.90 | NIST | |
| Ip | 923.10 | NIST | |
| Ip | 931.70 | NIST | |
| Ip | 914.90 | NIST | |
| Ip | 923.10 | NIST | |
| Ip | 909.00 | NIST | |
| Ip | 900.00 | NIST | |
| Ip | 932.00 | NIST | |
| Ip | 914.90 | NIST | |
| Ip | 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; 584.20] | K |
|
| Tc | 584.20 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 584.20 | K | KDB |
| Tfus | [152.15; 152.87] | K |
|
| Tfus | 152.75 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| 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; 0.354] | m3/kmol |
|
| Vc | 0.354 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.354 | m3/kmol | KDB |
| Zc | 0.2598130 | KDB |
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Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| 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 |
|---|---|---|---|---|
| Cp,gas | [109.67; 324.54] | 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 | -5.29400e+01 | |||
| Coefficient B | 7.01920e-01 | |||
| Coefficient C | -4.13640e-04 | |||
| Coefficient D | 8.92000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 109.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 147.56 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 181.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 211.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 237.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 260.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 280.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 297.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 312.05 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 324.54 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0300113; 0.0002213] | Pa×s | [152.54; 408.94] |
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 | -1.13369e+01 | |||
| Coefficient B | 1.19450e+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. | 152.54 | |||
| Temperature range, max. | 408.94 | |||
| η | 0.0300113 | Pa×s | 152.54 | Calculated Property |
| η | 0.0087518 | Pa×s | 181.03 | Calculated Property |
| η | 0.0035682 | Pa×s | 209.52 | Calculated Property |
| η | 0.0018034 | Pa×s | 238.01 | Calculated Property |
| η | 0.0010546 | Pa×s | 266.50 | Calculated Property |
| η | 0.0006840 | Pa×s | 294.99 | Calculated Property |
| η | 0.0004788 | Pa×s | 323.47 | Calculated Property |
| η | 0.0003551 | Pa×s | 351.96 | Calculated Property |
| η | 0.0002754 | Pa×s | 380.45 | Calculated Property |
| η | 0.0002213 | Pa×s | 408.94 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [278.77; 408.03] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 8.21289e+01 | |||
| Coefficient B | -7.17350e+03 | |||
| Coefficient C | -1.00656e+01 | |||
| Coefficient D | 7.33952e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| 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
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- 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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