- InChI
- InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h7-10H,5-6H2,1-4H3/b12-9+
- InChI Key
- HZAZIPVYRJKZCP-FMIVXFBMSA-N
- Formula
- C13H20
- SMILES
- CCCC=C1C(C)=CC=CC1(C)C
- Molecular Weight1
- 176.30
- 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).
- I : 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° | 173.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -61.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.84 | kJ/mol | Joback Calculated Property |
| log10WS | -4.48 | Crippen Calculated Property | |
| logPoct/wat | 4.255 | Crippen Calculated Property | |
| McVol | 170.270 | ml/mol | McGowan Calculated Property |
| Pc | 2204.15 | kPa | Joback Calculated Property |
| I | [1643.00; 1643.00] |
|
|
| I | 1643.00 | NIST | |
| I | 1643.00 | NIST | |
| Tboil | 526.57 | K | Joback Calculated Property |
| Tc | 735.76 | K | Joback Calculated Property |
| Tfus | 291.95 | K | Joback Calculated Property |
| Vc | 0.649 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.01; 487.80] | J/mol×K | [526.57; 735.76] |
|
| Cp,gas | 394.01 | J/mol×K | 526.57 | Joback Calculated Property |
| Cp,gas | 411.94 | J/mol×K | 561.43 | Joback Calculated Property |
| Cp,gas | 428.81 | J/mol×K | 596.30 | Joback Calculated Property |
| Cp,gas | 444.72 | J/mol×K | 631.16 | Joback Calculated Property |
| Cp,gas | 459.78 | J/mol×K | 666.03 | Joback Calculated Property |
| Cp,gas | 474.10 | J/mol×K | 700.89 | Joback Calculated Property |
| Cp,gas | 487.80 | J/mol×K | 735.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Megastimatriene.
Sources
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