- InChI
- InChI=1S/C17H24O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h4,15-18H,2-3,5-7,10,13-14H2,1H3
- InChI Key
- GVLDSGIQZAFIAN-UHFFFAOYSA-N
- Formula
- C17H24O2
- SMILES
- C=CC(O)C#CC#CCC1OC1CCCCCCC
- Molecular Weight1
- 260.37
- CAS
- 72800-72-7
- 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 | 0.6627 | Relay (1.0) Calculated Property | |
| ΔfG° | 413.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 57.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.058 | Crippen Calculated Property | |
| McVol | 229.770 | ml/mol | McGowan Calculated Property |
| Pc | 1890.36 | kPa | Joback Calculated Property |
| Inp | [2192.80; 2192.80] |
|
|
| Inp | 2192.80 | NIST | |
| Inp | 2192.80 | NIST | |
| Tboil | 577.84 | K | Relay (1.0) Calculated Property |
| Tc | 772.75 | K | Relay (1.0) Calculated Property |
| Tfus | 341.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.821 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [659.49; 744.02] | J/mol×K | [723.80; 922.40] |
|
| Cp,gas | 659.49 | J/mol×K | 723.80 | Joback Calculated Property |
| Cp,gas | 675.50 | J/mol×K | 756.90 | Joback Calculated Property |
| Cp,gas | 690.68 | J/mol×K | 790.00 | Joback Calculated Property |
| Cp,gas | 705.06 | J/mol×K | 823.10 | Joback Calculated Property |
| Cp,gas | 718.72 | J/mol×K | 856.20 | Joback Calculated Property |
| Cp,gas | 731.68 | J/mol×K | 889.30 | Joback Calculated Property |
| Cp,gas | 744.02 | J/mol×K | 922.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Panaxydol.
Sources
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