- 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
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 181.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 57.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 29.45 | kJ/mol | Joback Calculated Property |
| log10WS | -2.22 | Crippen 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 | 633.00 | NIST | |
| Inp | 637.00 | 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 | 527.02 | K | Joback Calculated Property |
| Tfus | 150.13 | K | Joback Calculated Property |
| Vc | 0.384 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.80; 226.18] | J/mol×K | [352.48; 527.02] |
|
| Cp,gas | 166.80 | J/mol×K | 352.48 | Joback Calculated Property |
| Cp,gas | 177.85 | J/mol×K | 381.57 | Joback Calculated Property |
| Cp,gas | 188.42 | J/mol×K | 410.66 | Joback Calculated Property |
| Cp,gas | 198.52 | J/mol×K | 439.75 | Joback Calculated Property |
| Cp,gas | 208.17 | J/mol×K | 468.84 | Joback Calculated Property |
| Cp,gas | 217.38 | J/mol×K | 497.93 | Joback Calculated Property |
| Cp,gas | 226.18 | J/mol×K | 527.02 | Joback Calculated Property |
| η | [0.0002159; 0.0061775] | Pa×s | [150.13; 352.48] |
|
| η | 0.0061775 | Pa×s | 150.13 | Joback Calculated Property |
| η | 0.0021155 | Pa×s | 183.85 | Joback Calculated Property |
| η | 0.0010099 | Pa×s | 217.58 | Joback Calculated Property |
| η | 0.0005880 | Pa×s | 251.31 | Joback Calculated Property |
| η | 0.0003891 | Pa×s | 285.03 | Joback Calculated Property |
| η | 0.0002810 | Pa×s | 318.75 | Joback Calculated Property |
| η | 0.0002159 | Pa×s | 352.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-Hexadiene, 3-methyl-.
Sources
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