- InChI
- InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8-10,12H,7,11H2,1-5H3/b10-8-,14-6-,15-12+
- InChI Key
- JEKGHHPMLRLCIW-NSURDWQSSA-N
- Formula
- C15H24
- SMILES
- CC=C(C)C=CC=C(C)CCC=C(C)C
- Molecular Weight1
- 204.35
- 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.
- 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° | 370.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 86.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.06 | kJ/mol | Joback Calculated Property |
| log10WS | -5.52 | Crippen Calculated Property | |
| logPoct/wat | 5.202 | Crippen Calculated Property | |
| McVol | 205.010 | ml/mol | McGowan Calculated Property |
| Pc | 1686.56 | kPa | Joback Calculated Property |
| Inp | [1631.00; 1631.00] |
|
|
| Inp | 1631.00 | NIST | |
| Inp | 1631.00 | NIST | |
| I | [1932.00; 1932.00] |
|
|
| I | 1932.00 | NIST | |
| I | 1932.00 | NIST | |
| I | 1932.00 | NIST | |
| Tboil | 558.88 | K | Joback Calculated Property |
| Tc | 753.82 | K | Joback Calculated Property |
| Tfus | 196.61 | K | Joback Calculated Property |
| Vc | 0.798 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [485.53; 581.30] | J/mol×K | [558.88; 753.82] |
|
| Cp,gas | 485.53 | J/mol×K | 558.88 | Joback Calculated Property |
| Cp,gas | 503.84 | J/mol×K | 591.37 | Joback Calculated Property |
| Cp,gas | 521.10 | J/mol×K | 623.86 | Joback Calculated Property |
| Cp,gas | 537.41 | J/mol×K | 656.35 | Joback Calculated Property |
| Cp,gas | 552.83 | J/mol×K | 688.84 | Joback Calculated Property |
| Cp,gas | 567.43 | J/mol×K | 721.33 | Joback Calculated Property |
| Cp,gas | 581.30 | J/mol×K | 753.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)2,(Z)4,(E)6-ALLOFARNESENE.
Sources
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