- InChI
- InChI=1S/C16H28O/c1-11(2)13-8-9-16(5,17)14-7-6-12(3)10-15(13,14)4/h11,13-14,17H,3,6-10H2,1-2,4-5H3/t13-,14?,15-,16+/m0/s1
- InChI Key
- SRAIGEKKAALUNZ-HNSVSWJLSA-N
- Formula
- C16H28O
- SMILES
-
C=C1CCC2C(C)(O)CCC(C(C)C)C2(C)
C1 - Molecular Weight1
- 236.39
- 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° | 44.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -336.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.25 | kJ/mol | Joback Calculated Property |
| log10WS | -4.57 | Crippen Calculated Property | |
| logPoct/wat | 4.166 | Crippen Calculated Property | |
| McVol | 216.150 | ml/mol | McGowan Calculated Property |
| Pc | 1973.55 | kPa | Joback Calculated Property |
| Inp | 1587.00 | NIST | |
| Tboil | 678.08 | K | Joback Calculated Property |
| Tc | 886.16 | K | Joback Calculated Property |
| Tfus | 390.70 | K | Joback Calculated Property |
| Vc | 0.804 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [648.75; 763.79] | J/mol×K | [678.08; 886.16] | 
|
| Cp,gas | 648.75 | J/mol×K | 678.08 | Joback Calculated Property |
| Cp,gas | 669.28 | J/mol×K | 712.76 | Joback Calculated Property |
| Cp,gas | 689.01 | J/mol×K | 747.44 | Joback Calculated Property |
| Cp,gas | 708.13 | J/mol×K | 782.12 | Joback Calculated Property |
| Cp,gas | 726.83 | J/mol×K | 816.80 | Joback Calculated Property |
| Cp,gas | 745.32 | J/mol×K | 851.48 | Joback Calculated Property |
| Cp,gas | 763.79 | J/mol×K | 886.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Proisocalamendiol.
Sources
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