- InChI
- InChI=1S/C7H12/c1-3-5-7-6-4-2/h5-6H,3-4H2,1-2H3
- InChI Key
- ZLYMNRDOPVPQPY-UHFFFAOYSA-N
- Formula
- C7H12
- SMILES
- CCC=C=CCC
- Molecular Weight1
- 96.17
- CAS
- 2454-31-1
- Other Names
-
- 1,3-Diethylallene
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.2126 | Relay (... Calculated Property | |
| ΔfG° | 216.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 77.51 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.37 | kJ/mol | Relay (... Calculated Property |
| IE | 8.58 | eV | Relay (... Calculated Property |
| log10WS | -2.50 | Relay (... Calculated Property | |
| logPoct/wat | 2.518 | Crippen Calculated Property | |
| McVol | 100.890 | ml/mol | McGowan Calculated Property |
| Pc | 3280.28 | kPa | Joback Calculated Property |
| Tboil | 370.58 | K | Relay (... Calculated Property |
| Tc | 548.24 | K | Relay (... Calculated Property |
| Tfus | 182.80 | K | Relay (... Calculated Property |
| Vc | 0.376 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [172.54; 230.09] | J/mol×K | [366.99; 550.88] | 
|
| Cp,gas | 172.54 | J/mol×K | 366.99 | Joback Calculated Property |
| Cp,gas | 183.12 | J/mol×K | 397.64 | Joback Calculated Property |
| Cp,gas | 193.29 | J/mol×K | 428.29 | Joback Calculated Property |
| Cp,gas | 203.06 | J/mol×K | 458.94 | Joback Calculated Property |
| Cp,gas | 212.44 | J/mol×K | 489.59 | Joback Calculated Property |
| Cp,gas | 221.45 | J/mol×K | 520.23 | Joback Calculated Property |
| Cp,gas | 230.09 | J/mol×K | 550.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Heptadiene.
Sources
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