- InChI
- InChI=1S/C7H12/c1-4-6-7(3)5-2/h4-5,7H,1-2,6H2,3H3
- InChI Key
- JXENLILXUMZMFC-UHFFFAOYSA-N
- Formula
- C7H12
- SMILES
- C=CCC(C)C=C
- Molecular Weight1
- 96.17
- CAS
- 1541-33-9
- Other Names
-
- 3-Methyl-1,5-hexadiene
- 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).
- 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 | 0.2227 | Relay (1.0) Calculated Property | |
| ΔfG° | 181.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 20.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.385 | Crippen Calculated Property | |
| McVol | 100.890 | ml/mol | McGowan Calculated Property |
| Pc | 3093.29 | kPa | Joback Calculated Property |
| Inp | [633.00; 637.00] |
|
|
| Inp | 637.00 | NIST | |
| Inp | 633.00 | NIST | |
| Inp | 637.00 | NIST | |
| Tboil | [353.15; 354.00] | K |
|
| Tboil | 353.20 | K | NIST |
| Tboil | 353.70 ± 2.00 | K | NIST |
| Tboil | 354.00 ± 2.00 | K | NIST |
| Tboil | 353.15 ± 0.50 | K | NIST |
| Tc | 518.31 | K | Relay (1.0) Calculated Property |
| Tfus | 137.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.367 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [134.05; 323.98] | 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 | -1.11390e+01 | |||
| Coefficient B | 6.34720e-01 | |||
| Coefficient C | -4.06000e-04 | |||
| Coefficient D | 1.06400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 134.05 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 167.31 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 196.74 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 222.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 245.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 265.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 282.98 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 298.34 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 311.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 323.98 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0061775; 0.0001930] | Pa×s | [150.13; 369.13] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.09289e+01 | |||
| Coefficient B | 8.77060e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 150.13 | |||
| Temperature range, max. | 369.13 | |||
| η | 0.0061775 | Pa×s | 150.13 | Calculated Property |
| η | 0.0027349 | Pa×s | 174.46 | Calculated Property |
| η | 0.0014781 | Pa×s | 198.80 | Calculated Property |
| η | 0.0009136 | Pa×s | 223.13 | Calculated Property |
| η | 0.0006207 | Pa×s | 247.46 | Calculated Property |
| η | 0.0004520 | Pa×s | 271.79 | Calculated Property |
| η | 0.0003467 | Pa×s | 296.13 | Calculated Property |
| η | 0.0002769 | Pa×s | 320.46 | Calculated Property |
| η | 0.0002282 | Pa×s | 344.79 | Calculated Property |
| η | 0.0001930 | Pa×s | 369.13 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-Hexadiene, 3-methyl-.
Sources
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