- InChI
- InChI=1S/C6H10/c1-4-6(3)5-2/h1,5H2,2-3H3
- InChI Key
- INFFCVIZNSUFGK-UHFFFAOYSA-N
- Formula
- C6H10
- SMILES
- C=C=C(C)CC
- Molecular Weight1
- 82.14
- CAS
- 7417-48-3
- 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).
- 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° | 207.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 111.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.80 | kJ/mol | Joback Calculated Property |
| IE | 8.74 ± 0.05 | eV | NIST |
| log10WS | -2.06 | Crippen Calculated Property | |
| logPoct/wat | 2.128 | Crippen Calculated Property | |
| McVol | 86.800 | ml/mol | McGowan Calculated Property |
| Pc | 3650.93 | kPa | Joback Calculated Property |
| Tboil | 336.51 | K | Joback Calculated Property |
| Tc | 518.61 | K | Joback Calculated Property |
| Tfus | 148.17 | K | Joback Calculated Property |
| Vc | 0.334 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [139.82; 188.13] | J/mol×K | [336.51; 518.61] | 
|
| Cp,gas | 139.82 | J/mol×K | 336.51 | Joback Calculated Property |
| Cp,gas | 148.57 | J/mol×K | 366.86 | Joback Calculated Property |
| Cp,gas | 157.04 | J/mol×K | 397.21 | Joback Calculated Property |
| Cp,gas | 165.22 | J/mol×K | 427.56 | Joback Calculated Property |
| Cp,gas | 173.13 | J/mol×K | 457.91 | Joback Calculated Property |
| Cp,gas | 180.76 | J/mol×K | 488.26 | Joback Calculated Property |
| Cp,gas | 188.13 | J/mol×K | 518.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-methylpenta-1,2-diene.
Sources
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