- InChI
- InChI=1S/C10H20/c1-5-10(4)8-6-7-9(2)3/h8-9H,5-7H2,1-4H3
- InChI Key
- RMOJMFBVFPIYJA-CSKARUKUSA-N
- Formula
- C10H20
- SMILES
- CC/C(C)=C/CCC(C)C
- Molecular Weight1
- 140.27
- Other Names
-
- 3-Octene, 3,7-dimethyl
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 17.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.779 | Crippen Calculated Property | |
| McVol | 147.460 | ml/mol | McGowan Calculated Property |
| Inp | [922.00; 922.00] |
|
|
| Inp | 922.00 | NIST | |
| Inp | 922.00 | NIST | |
| I | [1238.00; 1238.00] |
|
|
| I | 1238.00 | NIST | |
| I | 1238.00 | NIST | |
| Tboil | 433.84 | K | Relay (1.0) Calculated Property |
| Tc | 602.36 | K | Relay (1.0) Calculated Property |
| Tfus | 172.03 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.45; 504.92] | 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 | -2.17570e+01 | |||
| Coefficient B | 9.79680e-01 | |||
| Coefficient C | -6.09500e-04 | |||
| Coefficient D | 1.56500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 203.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 255.48 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 301.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 342.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 378.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 410.65 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 438.69 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 463.42 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 485.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 504.92 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,7-Dimethyl-3-octene.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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