- InChI
- InChI=1S/C7H12/c1-5-7(3,4)6-2/h5-6H,1-2H2,3-4H3
- InChI Key
- BHZUNHXTRRNKST-UHFFFAOYSA-N
- Formula
- C7H12
- SMILES
- C=CC(C)(C)C=C
- Molecular Weight1
- 96.17
- CAS
- 1112-35-2
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 0.1673 | Relay (1.0) Calculated Property | |
| ΔfG° | 186.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 44.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 3.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | NIST |
| logPoct/wat | 2.385 | Crippen Calculated Property | |
| McVol | 100.890 | ml/mol | McGowan Calculated Property |
| Pc | 3131.49 | kPa | Joback Calculated Property |
| Tboil | 338.56 | K | Relay (1.0) Calculated Property |
| Tc | 522.16 | K | Relay (1.0) Calculated Property |
| Tfus | 156.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.371 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [167.43; 231.89] | J/mol×K | [349.89; 532.20] | 
|
| Cp,gas | 167.43 | J/mol×K | 349.89 | Joback Calculated Property |
| Cp,gas | 179.78 | J/mol×K | 380.27 | Joback Calculated Property |
| Cp,gas | 191.45 | J/mol×K | 410.66 | Joback Calculated Property |
| Cp,gas | 202.47 | J/mol×K | 441.04 | Joback Calculated Property |
| Cp,gas | 212.86 | J/mol×K | 471.43 | Joback Calculated Property |
| Cp,gas | 222.66 | J/mol×K | 501.81 | Joback Calculated Property |
| Cp,gas | 231.89 | J/mol×K | 532.20 | Joback Calculated Property |
| η | [0.0002631; 0.0075642] | Pa×s | [167.55; 349.89] |
|
| η | 0.0075642 | Pa×s | 167.55 | Joback Calculated Property |
| η | 0.0028123 | Pa×s | 197.94 | Joback Calculated Property |
| η | 0.0013606 | Pa×s | 228.33 | Joback Calculated Property |
| η | 0.0007807 | Pa×s | 258.72 | Joback Calculated Property |
| η | 0.0005035 | Pa×s | 289.11 | Joback Calculated Property |
| η | 0.0003529 | Pa×s | 319.50 | Joback Calculated Property |
| η | 0.0002631 | Pa×s | 349.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Pentadiene, 3,3-dimethyl-.
Sources
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