- InChI
- InChI=1S/C15H18O2/c1-10(2)7-8-11-9-14(16)12-5-3-4-6-13(12)15(11)17/h3-7,11,14,16H,8-9H2,1-2H3/t11-,14?/m0/s1
- InChI Key
- BTQXIESSQVRLCV-ZSOXZCCMSA-N
- Formula
- C15H18O2
- SMILES
- CC(C)=CCC1CC(O)c2ccccc2C1=O
- Molecular Weight1
- 230.30
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6227 | Relay (1.0) Calculated Property | |
| ΔfG° | 31.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -301.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.279 | Crippen Calculated Property | |
| McVol | 190.730 | ml/mol | McGowan Calculated Property |
| Pc | 2412.37 | kPa | Joback Calculated Property |
| Inp | 1988.00 | NIST | |
| Tboil | 612.84 | K | Relay (1.0) Calculated Property |
| Tc | 864.28 | K | Relay (1.0) Calculated Property |
| Tfus | 393.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.666 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [558.97; 637.24] | J/mol×K | [744.64; 965.00] | 
|
| Cp,gas | 558.97 | J/mol×K | 744.64 | Joback Calculated Property |
| Cp,gas | 574.45 | J/mol×K | 781.37 | Joback Calculated Property |
| Cp,gas | 588.90 | J/mol×K | 818.09 | Joback Calculated Property |
| Cp,gas | 602.35 | J/mol×K | 854.82 | Joback Calculated Property |
| Cp,gas | 614.86 | J/mol×K | 891.54 | Joback Calculated Property |
| Cp,gas | 626.48 | J/mol×K | 928.27 | Joback Calculated Property |
| Cp,gas | 637.24 | J/mol×K | 965.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to epi-Catalponol.
Sources
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