- InChI
- InChI=1S/C9H16/c1-5-7-9(6-2)8(3)4/h7H,3,5-6H2,1-2,4H3
- InChI Key
- ICVZMTIGTXBIHI-UHFFFAOYSA-N
- Formula
- C9H16
- SMILES
- C=C(C)C(=CCC)CC
- Molecular Weight1
- 124.23
- Other Names
-
- 3-Ethyl-2-methyl-1,3-hexadiene
- 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).
- 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 | 0.3176 | Relay (1.0) Calculated Property | |
| ΔfG° | 175.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -18.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.309 | Crippen Calculated Property | |
| McVol | 129.070 | ml/mol | McGowan Calculated Property |
| Pc | 2555.92 | kPa | Joback Calculated Property |
| Inp | [1005.00; 1041.00] |
|
|
| Inp | 1041.00 | NIST | |
| Inp | 1030.00 | NIST | |
| Inp | 1030.00 | NIST | |
| Inp | 1031.00 | NIST | |
| Inp | Outlier 1005.00 | NIST | |
| Inp | 1030.00 | NIST | |
| Inp | 1041.00 | NIST | |
| Tboil | 408.40 | K | Relay (1.0) Calculated Property |
| Tc | 599.47 | K | Relay (1.0) Calculated Property |
| Tfus | 208.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.478 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [172.90; 424.01] | 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 | -2.18480e+01 | |||
| Coefficient B | 8.58660e-01 | |||
| Coefficient C | -5.77100e-04 | |||
| Coefficient D | 1.64300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 172.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 216.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 255.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 289.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 319.74 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 345.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 368.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 389.24 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 407.43 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 424.01 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Hexadiene, 3-ethyl-2-methyl-.
Sources
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