- InChI
- InChI=1S/C8H14/c1-6-8(4,5)7(2)3/h6H,1-2H2,3-5H3
- InChI Key
- OXYDHUPSYIQGAP-UHFFFAOYSA-N
- Formula
- C8H14
- SMILES
- C=CC(C)(C)C(=C)C
- Molecular Weight1
- 110.20
- CAS
- 756-02-5
- Other Names
-
- 2,3,3-Trimethyl-1,4-pentadiene
- 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).
- 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° | 186.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 23.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 5.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 30.85 | kJ/mol | Joback Calculated Property |
| log10WS | -2.64 | Crippen Calculated Property | |
| logPoct/wat | 2.775 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 2835.36 | kPa | Joback Calculated Property |
| Inp | 817.00 | NIST | |
| Tboil | 372.45 | K | Joback Calculated Property |
| Tc | 557.91 | K | Joback Calculated Property |
| Tfus | 164.86 | K | Joback Calculated Property |
| Vc | 0.435 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [204.26; 276.38] | J/mol×K | [372.45; 557.91] | 
|
| Cp,gas | 204.26 | J/mol×K | 372.45 | Joback Calculated Property |
| Cp,gas | 218.07 | J/mol×K | 403.36 | Joback Calculated Property |
| Cp,gas | 231.12 | J/mol×K | 434.27 | Joback Calculated Property |
| Cp,gas | 243.44 | J/mol×K | 465.18 | Joback Calculated Property |
| Cp,gas | 255.06 | J/mol×K | 496.09 | Joback Calculated Property |
| Cp,gas | 266.03 | J/mol×K | 527.00 | Joback Calculated Property |
| Cp,gas | 276.38 | J/mol×K | 557.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Pentadiene, 2,3,3-trimethyl-.
Sources
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