- InChI
- InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h7H,4-6H2,1-3H3
- InChI Key
- WEPNJTDVIIKRIK-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- CCCCC=C(C)C
- Molecular Weight1
- 112.21
- CAS
- 627-97-4
- Other Names
-
- 2-Methylhept-2-ene
- 2-heptene, 2-methyl-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3139 | Relay (1.0) Calculated Property | |
| ΔfG° | 88.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -114.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.70 | kJ/mol | NIST |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.143 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2687.42 | kPa | Joback Calculated Property |
| Inp | [770.00; 800.20] |
|
|
| Inp | 800.20 | NIST | |
| Inp | 789.60 | NIST | |
| Inp | 787.00 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 789.50 | NIST | |
| Inp | 791.00 | NIST | |
| Inp | 789.50 | NIST | |
| Inp | 789.50 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | Outlier 770.00 | NIST | |
| Inp | 796.00 | NIST | |
| Inp | 800.20 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 789.50 | NIST | |
| Inp | Outlier 770.00 | NIST | |
| Tboil | [393.65; 398.35] | K |
|
| Tboil | 395.80 | K | NIST |
| Tboil | 395.77 ± 0.20 | K | NIST |
| Tboil | 395.83 ± 0.20 | K | NIST |
| Tboil | 396.02 ± 0.20 | K | NIST |
| Tboil | 395.75 ± 0.50 | K | NIST |
| Tboil | 394.75 ± 0.70 | K | NIST |
| Tboil | 395.75 ± 0.60 | K | NIST |
| Tboil | 395.85 ± 0.40 | K | NIST |
| Tboil | Outlier 398.35 ± 0.60 | K | NIST |
| Tboil | 394.85 ± 0.70 | K | NIST |
| Tboil | 394.65 ± 1.00 | K | NIST |
| Tboil | 393.65 ± 2.00 | K | NIST |
| Tc | 568.90 | K | Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons |
| Tfus | [150.98; 151.00] | K |
|
| Tfus | 150.98 ± 0.06 | K | NIST |
| Tfus | 150.98 ± 0.06 | K | NIST |
| Tfus | 151.00 ± 0.02 | K | NIST |
| Vc | 0.457 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 41.20 | kJ/mol | 326.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.34; 401.20] | 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 | -1.82570e+01 | |||
| Coefficient B | 7.83760e-01 | |||
| Coefficient C | -4.97500e-04 | |||
| Coefficient D | 1.33200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 161.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 202.65 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 239.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 271.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 300.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 325.63 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 347.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 367.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 385.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 401.20 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [287.96; 423.05] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42166e+01 | |||
| Coefficient B | -3.33544e+03 | |||
| Coefficient C | -4.84960e+01 | |||
| Temperature range, min. | 287.96 | |||
| Temperature range, max. | 423.05 | |||
| Pvap | 1.33 | kPa | 287.96 | Calculated Property |
| Pvap | 3.03 | kPa | 302.97 | Calculated Property |
| Pvap | 6.29 | kPa | 317.98 | Calculated Property |
| Pvap | 12.09 | kPa | 332.99 | Calculated Property |
| Pvap | 21.76 | kPa | 348.00 | Calculated Property |
| Pvap | 37.02 | kPa | 363.01 | Calculated Property |
| Pvap | 60.02 | kPa | 378.02 | Calculated Property |
| Pvap | 93.28 | kPa | 393.03 | Calculated Property |
| Pvap | 139.74 | kPa | 408.04 | Calculated Property |
| Pvap | 202.66 | kPa | 423.05 | Calculated Property |
| Pvap | [1.35; 202.62] | kPa | [288.15; 423.15] |
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 | 9.49092e+01 | |||
| Coefficient B | -7.89919e+03 | |||
| Coefficient C | -1.19986e+01 | |||
| Coefficient D | 9.12422e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 288.15 | |||
| Temperature range, max. | 423.15 | |||
| Pvap | 1.35 | kPa | 288.15 | Calculated Property |
| Pvap | 3.09 | kPa | 303.15 | Calculated Property |
| Pvap | 6.44 | kPa | 318.15 | Calculated Property |
| Pvap | 12.39 | kPa | 333.15 | Calculated Property |
| Pvap | 22.26 | kPa | 348.15 | Calculated Property |
| Pvap | 37.76 | kPa | 363.15 | Calculated Property |
| Pvap | 60.94 | kPa | 378.15 | Calculated Property |
| Pvap | 94.23 | kPa | 393.15 | Calculated Property |
| Pvap | 140.41 | kPa | 408.15 | Calculated Property |
| Pvap | 202.62 | kPa | 423.15 | Calculated Property |
| Pvap | [0.13; 100.88] | kPa | [257.10; 395.70] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.50592e+01 | |||
| Coefficient B | -3.73072e+03 | |||
| Coefficient C | -3.85310e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 257.10 | |||
| Temperature range, max. | 395.70 | |||
| Pvap | 0.13 | kPa | 257.10 | Calculated Property |
| Pvap | 0.41 | kPa | 272.50 | Calculated Property |
| Pvap | 1.10 | kPa | 287.90 | Calculated Property |
| Pvap | 2.63 | kPa | 303.30 | Calculated Property |
| Pvap | 5.72 | kPa | 318.70 | Calculated Property |
| Pvap | 11.44 | kPa | 334.10 | Calculated Property |
| Pvap | 21.37 | kPa | 349.50 | Calculated Property |
| Pvap | 37.65 | kPa | 364.90 | Calculated Property |
| Pvap | 63.01 | kPa | 380.30 | Calculated Property |
| Pvap | 100.88 | kPa | 395.70 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-2-heptene.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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