- InChI
- InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h4-5,8H,6-7H2,1-3H3
- InChI Key
- LXBJRNXXTAWCKU-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- CC=CCCC(C)C
- Molecular Weight1
- 112.21
- CAS
- 73548-72-8
- Other Names
-
- 6-Methyl-2-heptene
- 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 | 0.3076 | Relay (1.0) Calculated Property | |
| ΔfG° | 94.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -126.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | 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 | 787.00 | NIST | |
| Tboil | [390.85; 390.90] | K |
|
| Tboil | 390.90 ± 1.00 | K | NIST |
| Tboil | 390.85 ± 0.50 | K | NIST |
| Tc | 547.50 | K | Relay (1.0) Calculated Property |
| Tfus | 164.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.432 | 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 | [217.94; 289.43] | J/mol×K | [386.16; 562.05] |
|
| Cp,gas | 217.94 | J/mol×K | 386.16 | Joback Calculated Property |
| Cp,gas | 231.23 | J/mol×K | 415.47 | Joback Calculated Property |
| Cp,gas | 243.94 | J/mol×K | 444.79 | Joback Calculated Property |
| Cp,gas | 256.10 | J/mol×K | 474.10 | Joback Calculated Property |
| Cp,gas | 267.72 | J/mol×K | 503.42 | Joback Calculated Property |
| Cp,gas | 278.83 | J/mol×K | 532.73 | Joback Calculated Property |
| Cp,gas | 289.43 | J/mol×K | 562.05 | Joback Calculated Property |
| η | [0.0001950; 0.0101457] | Pa×s | [159.84; 386.16] |
|
| η | 0.0101457 | Pa×s | 159.84 | Joback Calculated Property |
| η | 0.0028001 | Pa×s | 197.56 | Joback Calculated Property |
| η | 0.0011677 | Pa×s | 235.28 | Joback Calculated Property |
| η | 0.0006201 | Pa×s | 273.00 | Joback Calculated Property |
| η | 0.0003840 | Pa×s | 310.72 | Joback Calculated Property |
| η | 0.0002638 | Pa×s | 348.44 | Joback Calculated Property |
| η | 0.0001950 | Pa×s | 386.16 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [289.62; 418.90] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.46383e+01 | |||
| Coefficient B | -3.44429e+03 | |||
| Coefficient C | -4.96120e+01 | |||
| Temperature range, min. | 289.62 | |||
| Temperature range, max. | 418.90 | |||
| Pvap | 1.33 | kPa | 289.62 | Calculated Property |
| Pvap | 3.00 | kPa | 303.98 | Calculated Property |
| Pvap | 6.18 | kPa | 318.35 | Calculated Property |
| Pvap | 11.85 | kPa | 332.71 | Calculated Property |
| Pvap | 21.32 | kPa | 347.08 | Calculated Property |
| Pvap | 36.34 | kPa | 361.44 | Calculated Property |
| Pvap | 59.10 | kPa | 375.81 | Calculated Property |
| Pvap | 92.27 | kPa | 390.17 | Calculated Property |
| Pvap | 138.93 | kPa | 404.54 | Calculated Property |
| Pvap | 202.65 | kPa | 418.90 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Heptene, 6-methyl-.
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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