- InChI
- InChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,2H2,1,3H3/b5-4-
- InChI Key
- RCJMVGJKROQDCB-PLNGDYQASA-N
- Formula
- C6H10
- SMILES
- C=C(C)C=CC
- Molecular Weight1
- 82.14
- CAS
- 1501-60-6
- Other Names
-
- (Z)-1,3-Pentadiene, 2-methyl-
- 1,3-Pentadiene, 2-methyl-, (Z)-
- 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 |
|---|---|---|---|
| ΔfG° | 159.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 65.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.32 | kJ/mol | Joback Calculated Property |
| IE | 8.65 ± 0.03 | eV | NIST |
| log10WS | -2.04 | Crippen Calculated Property | |
| logPoct/wat | 2.139 | Crippen Calculated Property | |
| McVol | 86.800 | ml/mol | McGowan Calculated Property |
| Pc | 3480.65 | kPa | Joback Calculated Property |
| Inp | [600.00; 629.00] |
|
|
| Inp | 602.00 | NIST | |
| Inp | 603.30 | NIST | |
| Inp | 602.90 | NIST | |
| Inp | 626.00 | NIST | |
| Inp | 628.00 | NIST | |
| Inp | 629.00 | NIST | |
| Inp | 629.00 | NIST | |
| Inp | 600.00 | NIST | |
| Inp | 601.00 | NIST | |
| Inp | 602.00 | NIST | |
| Inp | 602.00 | NIST | |
| Inp | 602.00 | NIST | |
| Inp | 629.00 | NIST | |
| Tboil | 337.40 | K | Joback Calculated Property |
| Tc | 517.19 | K | Joback Calculated Property |
| Tfus | 136.58 | K | Joback Calculated Property |
| Vc | 0.334 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [132.16; 184.75] | J/mol×K | [337.40; 517.19] |
|
| Cp,gas | 132.16 | J/mol×K | 337.40 | Joback Calculated Property |
| Cp,gas | 142.08 | J/mol×K | 367.36 | Joback Calculated Property |
| Cp,gas | 151.51 | J/mol×K | 397.33 | Joback Calculated Property |
| Cp,gas | 160.47 | J/mol×K | 427.29 | Joback Calculated Property |
| Cp,gas | 168.98 | J/mol×K | 457.26 | Joback Calculated Property |
| Cp,gas | 177.07 | J/mol×K | 487.22 | Joback Calculated Property |
| Cp,gas | 184.75 | J/mol×K | 517.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-1, cis-3-pentadiene.
Sources
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