- InChI
- InChI=1S/C10H20/c1-5-10(4)8-6-7-9(2)3/h9H,4-8H2,1-3H3
- InChI Key
- KHXBSPAXCBOYHZ-UHFFFAOYSA-N
- Formula
- C10H20
- SMILES
- C=C(CC)CCCC(C)C
- Molecular Weight1
- 140.27
- CAS
- 6874-31-3
- 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).
- 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 | 0.3818 | Relay (1.0) Calculated Property | |
| ΔfG° | 110.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -159.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.779 | Crippen Calculated Property | |
| McVol | 147.460 | ml/mol | McGowan Calculated Property |
| Pc | 2218.71 | kPa | Joback Calculated Property |
| Tboil | 427.03 | K | Relay (1.0) Calculated Property |
| Tc | 602.80 | K | Relay (1.0) Calculated Property |
| Tfus | 178.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.551 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.65; 506.99] | 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 | -1.05660e+01 | |||
| Coefficient B | 9.39660e-01 | |||
| Coefficient C | -5.48600e-04 | |||
| Coefficient D | 1.26500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 207.65 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 258.80 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 304.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 345.29 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 381.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 413.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 441.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 466.19 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 487.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 506.99 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl, 6-methylene octane.
Sources
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