- InChI
- InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h2,4-7H2,1,3H3
- InChI Key
- RCBGGJURENJHKV-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- C=C(C)CCCCC
- Molecular Weight1
- 112.22
- CAS
- 15870-10-7
- Other Names
-
- 1-heptene, 2-methyl-
- 2-Methylhept-1-ene
- 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).
- 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 | 0.3539 | Relay (1.0) Calculated Property | |
| ΔfG° | 95.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -101.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.30 | kJ/mol | NIST |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.143 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2659.77 | kPa | Joback Calculated Property |
| Inp | [773.00; 788.00] |
|
|
| Inp | 784.30 | NIST | |
| Inp | 774.90 | NIST | |
| Inp | 782.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 776.40 | NIST | |
| Inp | 782.00 | NIST | |
| Inp | 782.00 | NIST | |
| Inp | 776.00 | NIST | |
| Inp | 776.00 | NIST | |
| Inp | 787.50 | NIST | |
| Inp | 782.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 776.00 | NIST | |
| Inp | 778.00 | NIST | |
| Inp | 787.00 | NIST | |
| Inp | 788.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | Outlier 773.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 778.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 787.50 | NIST | |
| Tboil | [389.65; 393.15] | K |
|
| Tboil | 392.50 | K | NIST |
| Tboil | Outlier 389.65 ± 3.00 | K | NIST |
| Tboil | 392.00 ± 3.00 | K | NIST |
| Tboil | 392.37 ± 0.30 | K | NIST |
| Tboil | 392.50 ± 1.00 | K | NIST |
| Tboil | 391.65 ± 1.00 | K | NIST |
| Tboil | 392.45 ± 0.50 | K | NIST |
| Tboil | 391.65 ± 1.00 | K | NIST |
| Tboil | 392.75 ± 0.40 | K | NIST |
| Tboil | 392.45 ± 0.50 | K | NIST |
| Tboil | 393.15 ± 2.00 | K | NIST |
| Tboil | 392.65 ± 0.50 | K | NIST |
| Tboil | 393.15 ± 2.00 | K | NIST |
| Tc | 567.50 | K | Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons |
| Tfus | [183.01; 183.05] | K |
|
| Tfus | 183.01 ± 1.00 | K | NIST |
| Tfus | 183.01 ± 0.30 | K | NIST |
| Tfus | 183.01 ± 0.30 | K | NIST |
| Tfus | 183.05 ± 0.50 | K | NIST |
| Vc | 0.453 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.72; 286.75] | J/mol×K | [379.00; 549.05] |
|
| Cp,gas | 217.72 | J/mol×K | 379.00 | Joback Calculated Property |
| Cp,gas | 230.42 | J/mol×K | 407.34 | Joback Calculated Property |
| Cp,gas | 242.63 | J/mol×K | 435.68 | Joback Calculated Property |
| Cp,gas | 254.35 | J/mol×K | 464.02 | Joback Calculated Property |
| Cp,gas | 265.60 | J/mol×K | 492.37 | Joback Calculated Property |
| Cp,gas | 276.40 | J/mol×K | 520.71 | Joback Calculated Property |
| Cp,gas | 286.75 | J/mol×K | 549.05 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [286.66; 418.41] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41848e+01 | |||
| Coefficient B | -3.23383e+03 | |||
| Coefficient C | -5.39600e+01 | |||
| Temperature range, min. | 286.66 | |||
| Temperature range, max. | 418.41 | |||
| Pvap | 1.33 | kPa | 286.66 | Calculated Property |
| Pvap | 3.04 | kPa | 301.30 | Calculated Property |
| Pvap | 6.30 | kPa | 315.94 | Calculated Property |
| Pvap | 12.11 | kPa | 330.58 | Calculated Property |
| Pvap | 21.80 | kPa | 345.22 | Calculated Property |
| Pvap | 37.08 | kPa | 359.85 | Calculated Property |
| Pvap | 60.09 | kPa | 374.49 | Calculated Property |
| Pvap | 93.36 | kPa | 389.13 | Calculated Property |
| Pvap | 139.80 | kPa | 403.77 | Calculated Property |
| Pvap | 202.67 | kPa | 418.41 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-METHYL-1-HEPTENE.
Sources
- 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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