- InChI
- InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9,14-15H,5,7-8H2,1-4H3/t14-,15+/m0/s1
- InChI Key
- LHLLFFZNPMFKRK-LSDHHAIUSA-N
- Formula
- C15H22
- SMILES
- CC1=CC2C(=C(C)C)CC=C(C)C2CC1
- Molecular Weight1
- 202.34
- 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.
- 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° | 226.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -73.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.27 | kJ/mol | Joback Calculated Property |
| log10WS | -4.97 | Crippen Calculated Property | |
| logPoct/wat | 4.645 | Crippen Calculated Property | |
| McVol | 187.590 | ml/mol | McGowan Calculated Property |
| Pc | 2025.41 | kPa | Joback Calculated Property |
| Inp | [1735.00; 1735.00] |
|
|
| Inp | 1735.00 | NIST | |
| Inp | 1735.00 | NIST | |
| Tboil | 587.96 | K | Joback Calculated Property |
| Tc | 809.43 | K | Joback Calculated Property |
| Tfus | 303.57 | K | Joback Calculated Property |
| Vc | 0.714 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [482.89; 591.61] | J/mol×K | [587.96; 809.43] |
|
| Cp,gas | 482.89 | J/mol×K | 587.96 | Joback Calculated Property |
| Cp,gas | 504.00 | J/mol×K | 624.87 | Joback Calculated Property |
| Cp,gas | 523.83 | J/mol×K | 661.78 | Joback Calculated Property |
| Cp,gas | 542.44 | J/mol×K | 698.70 | Joback Calculated Property |
| Cp,gas | 559.90 | J/mol×K | 735.61 | Joback Calculated Property |
| Cp,gas | 576.27 | J/mol×K | 772.52 | Joback Calculated Property |
| Cp,gas | 591.61 | J/mol×K | 809.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7,14-Anhydroamorpha-4,9-diene.
Sources
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