- InChI
- InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h6-8H,4-5H2,1-3H3/b7-6+
- InChI Key
- CYEZJYAMLNTSKN-VOTSOKGWSA-N
- Formula
- C8H16
- SMILES
- CCCC=CC(C)C
- Molecular Weight1
- 112.21
- CAS
- 17618-76-7
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 0.2954 | Relay (1.0) Calculated Property | |
| ΔfG° | 94.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -123.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.999 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2695.80 | kPa | Joback Calculated Property |
| Inp | [759.00; 759.00] |
|
|
| Inp | 759.00 | NIST | |
| Inp | 759.00 | NIST | |
| Tboil | 373.48 | K | Relay (1.0) Calculated Property |
| Tc | 541.72 | K | Relay (1.0) Calculated Property |
| Tfus | 150.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.458 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l 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 | [218.03; 289.53] | J/mol×K | [386.36; 562.34] |
|
| Cp,gas | 218.03 | J/mol×K | 386.36 | Joback Calculated Property |
| Cp,gas | 231.33 | J/mol×K | 415.69 | Joback Calculated Property |
| Cp,gas | 244.04 | J/mol×K | 445.02 | Joback Calculated Property |
| Cp,gas | 256.20 | J/mol×K | 474.35 | Joback Calculated Property |
| Cp,gas | 267.82 | J/mol×K | 503.68 | Joback Calculated Property |
| Cp,gas | 278.93 | J/mol×K | 533.01 | Joback Calculated Property |
| Cp,gas | 289.53 | J/mol×K | 562.34 | Joback Calculated Property |
| η | [0.0001947; 0.0101457] | Pa×s | [159.84; 386.36] |
|
| η | 0.0101457 | Pa×s | 159.84 | Joback Calculated Property |
| η | 0.0027975 | Pa×s | 197.59 | Joback Calculated Property |
| η | 0.0011662 | Pa×s | 235.35 | Joback Calculated Property |
| η | 0.0006192 | Pa×s | 273.10 | Joback Calculated Property |
| η | 0.0003834 | Pa×s | 310.85 | Joback Calculated Property |
| η | 0.0002634 | Pa×s | 348.61 | Joback Calculated Property |
| η | 0.0001947 | Pa×s | 386.36 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [285.62; 420.39] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41614e+01 | |||
| Coefficient B | -3.29361e+03 | |||
| Coefficient C | -4.82220e+01 | |||
| Temperature range, min. | 285.62 | |||
| Temperature range, max. | 420.39 | |||
| Pvap | 1.33 | kPa | 285.62 | Calculated Property |
| Pvap | 3.04 | kPa | 300.59 | Calculated Property |
| Pvap | 6.31 | kPa | 315.57 | Calculated Property |
| Pvap | 12.12 | kPa | 330.54 | Calculated Property |
| Pvap | 21.82 | kPa | 345.52 | Calculated Property |
| Pvap | 37.12 | kPa | 360.49 | Calculated Property |
| Pvap | 60.14 | kPa | 375.47 | Calculated Property |
| Pvap | 93.42 | kPa | 390.44 | Calculated Property |
| Pvap | 139.85 | kPa | 405.42 | Calculated Property |
| Pvap | 202.67 | kPa | 420.39 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-3-heptene.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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