- InChI
- InChI=1S/C15H24O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h5,7-9,11-13,16H,6,10H2,1-4H3/t11-,12?,13+,15+/m1/s1
- InChI Key
- RBXTWLKVKMWZLA-YKURLNKLSA-N
- Formula
- C15H24O
- SMILES
- CC1CC=CC2C=CC(C(C)(C)O)CC21C
- Molecular Weight1
- 220.35
- 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.
- 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° | 53.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -302.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.70 | kJ/mol | Joback Calculated Property |
| log10WS | -4.01 | Crippen Calculated Property | |
| logPoct/wat | 3.552 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 2191.78 | kPa | Joback Calculated Property |
| Inp | [1673.00; 1674.00] |
|
|
| Inp | 1674.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Tboil | 651.33 | K | Joback Calculated Property |
| Tc | 864.46 | K | Joback Calculated Property |
| Tfus | 360.79 | K | Joback Calculated Property |
| Vc | 0.734 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [577.13; 680.98] | J/mol×K | [651.33; 864.46] |
|
| Cp,gas | 577.13 | J/mol×K | 651.33 | Joback Calculated Property |
| Cp,gas | 596.79 | J/mol×K | 686.85 | Joback Calculated Property |
| Cp,gas | 615.30 | J/mol×K | 722.37 | Joback Calculated Property |
| Cp,gas | 632.82 | J/mol×K | 757.89 | Joback Calculated Property |
| Cp,gas | 649.50 | J/mol×K | 793.42 | Joback Calculated Property |
| Cp,gas | 665.50 | J/mol×K | 828.94 | Joback Calculated Property |
| Cp,gas | 680.98 | J/mol×K | 864.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to DehydroJinkho-eremol.
Sources
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