- InChI
- InChI=1S/C15H26O2/c1-10-6-5-8-15(4)9-7-11(14(2,3)17)13(16)12(10)15/h6,11-13,16-17H,5,7-9H2,1-4H3
- InChI Key
- LBZDGNDASDARLL-UHFFFAOYSA-N
- Formula
- C15H26O2
- SMILES
-
CC1=CCCC2(C)CCC(C(C)(C)O)C(O)C
12 - Molecular Weight1
- 238.37
- CAS
- 67996-31-0
- 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° | -122.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -524.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.74 | kJ/mol | Joback Calculated Property |
| log10WS | -3.77 | Crippen Calculated Property | |
| logPoct/wat | 2.891 | Crippen Calculated Property | |
| McVol | 207.930 | ml/mol | McGowan Calculated Property |
| Pc | 2278.41 | kPa | Joback Calculated Property |
| Inp | [1855.00; 1855.00] |
|
|
| Inp | 1855.00 | NIST | |
| Inp | 1855.00 | NIST | |
| Tboil | 749.33 | K | Joback Calculated Property |
| Tc | 950.18 | K | Joback Calculated Property |
| Tfus | 433.37 | K | Joback Calculated Property |
| Vc | 0.766 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [668.65; 762.93] | J/mol×K | [749.33; 950.18] |
|
| Cp,gas | 668.65 | J/mol×K | 749.33 | Joback Calculated Property |
| Cp,gas | 685.68 | J/mol×K | 782.81 | Joback Calculated Property |
| Cp,gas | 702.01 | J/mol×K | 816.28 | Joback Calculated Property |
| Cp,gas | 717.78 | J/mol×K | 849.76 | Joback Calculated Property |
| Cp,gas | 733.11 | J/mol×K | 883.23 | Joback Calculated Property |
| Cp,gas | 748.12 | J/mol×K | 916.71 | Joback Calculated Property |
| Cp,gas | 762.93 | J/mol×K | 950.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Chenopodiol.
Sources
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