- InChI
- InChI=1S/C8H14/c1-6(2)8(5)7(3)4/h8H,1,3H2,2,4-5H3
- InChI Key
- AFQPKTBBNYINMQ-UHFFFAOYSA-N
- Formula
- C8H14
- SMILES
- C=C(C)C(C)C(=C)C
- Molecular Weight1
- 110.20
- CAS
- 72014-90-5
- Other Names
-
- (CH3)2C=C(CH3)C(CH3)=CH2
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| PAff | 869.90 | kJ/mol | NIST |
| BasG | 841.00 | kJ/mol | NIST |
| ΔfG° | 172.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 17.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.83 | 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 | 2817.33 | kPa | Joback Calculated Property |
| Tboil | 375.12 | K | Joback Calculated Property |
| Tc | 556.50 | K | Joback Calculated Property |
| Tfus | 133.48 | K | Joback Calculated Property |
| Vc | 0.442 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.24; 271.57] | J/mol×K | [375.12; 556.50] | 
|
| Cp,gas | 203.24 | J/mol×K | 375.12 | Joback Calculated Property |
| Cp,gas | 216.01 | J/mol×K | 405.35 | Joback Calculated Property |
| Cp,gas | 228.20 | J/mol×K | 435.58 | Joback Calculated Property |
| Cp,gas | 239.83 | J/mol×K | 465.81 | Joback Calculated Property |
| Cp,gas | 250.92 | J/mol×K | 496.04 | Joback Calculated Property |
| Cp,gas | 261.50 | J/mol×K | 526.27 | Joback Calculated Property |
| Cp,gas | 271.57 | J/mol×K | 556.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Pentadiene, 2,3,4-trimethyl-.
Sources
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