- InChI
- InChI=1S/C16H28O2/c1-10-5-6-12-14(2,3)7-11-8-16(10,12)9-13(17)15(11,4)18/h10-13,17-18H,5-9H2,1-4H3/t10-,11?,12?,13-,15-,16?/m0/s1
- InChI Key
- UEBJJCFHNQKAIK-MJKBPUIPSA-N
- Formula
- C16H28O2
- SMILES
-
CC1CCC2C(C)(C)CC3CC12CC(O)C3(C
)O - Molecular Weight1
- 252.39
- 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° | -91.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -513.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.13 | kJ/mol | Joback Calculated Property |
| log10WS | -3.75 | Crippen Calculated Property | |
| logPoct/wat | 2.971 | Crippen Calculated Property | |
| McVol | 215.460 | ml/mol | McGowan Calculated Property |
| Pc | 2263.26 | kPa | Joback Calculated Property |
| Inp | 1913.00 | NIST | |
| Tboil | 764.91 | K | Joback Calculated Property |
| Tc | 969.36 | K | Joback Calculated Property |
| Tfus | 489.72 | K | Joback Calculated Property |
| Vc | 0.806 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [727.86; 853.31] | J/mol×K | [764.91; 969.36] | 
|
| Cp,gas | 727.86 | J/mol×K | 764.91 | Joback Calculated Property |
| Cp,gas | 747.58 | J/mol×K | 798.99 | Joback Calculated Property |
| Cp,gas | 767.39 | J/mol×K | 833.06 | Joback Calculated Property |
| Cp,gas | 787.59 | J/mol×K | 867.14 | Joback Calculated Property |
| Cp,gas | 808.46 | J/mol×K | 901.21 | Joback Calculated Property |
| Cp,gas | 830.27 | J/mol×K | 935.29 | Joback Calculated Property |
| Cp,gas | 853.31 | J/mol×K | 969.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cedrane diol.
Sources
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