- InChI
- InChI=1S/C15H26O2/c1-10-4-5-11-13(2,9-16)12-8-15(10,11)7-6-14(12,3)17/h10-12,16-17H,4-9H2,1-3H3
- InChI Key
- YULHLOUAHSEHLD-UHFFFAOYSA-N
- Formula
- C15H26O2
- SMILES
- CC1CCC2C(C)(CO)C3CC12CCC3(C)O
- Molecular Weight1
- 238.37
- CAS
- 62600-05-9
- Other Names
-
- 1H-3a,7-Methanoazulene-8-methanol, octahydro-6-hydroxy-3,6,8-trimethyl-, [3R-(3«alpha»,3a«beta»,6«beta»,7«beta»,8«alpha»,8a«alpha»)]-
- 8S,14-Cedrandiol
- 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).
- 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 | 0.6506 | Relay (... Calculated Property | |
| ΔfG° | -79.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -411.74 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.18 | kJ/mol | Relay (... Calculated Property |
| IE | 8.54 | eV | Relay (... Calculated Property |
| log10WS | -3.02 | Relay (... Calculated Property | |
| logPoct/wat | 2.582 | Crippen Calculated Property | |
| McVol | 201.370 | ml/mol | McGowan Calculated Property |
| Pc | 2505.01 | kPa | Joback Calculated Property |
| Tboil | 574.81 | K | Relay (... Calculated Property |
| Tc | 857.41 | K | Relay (... Calculated Property |
| Tfus | 391.27 | K | Relay (... Calculated Property |
| Vc | 0.724 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [663.89; 777.05] | J/mol×K | [742.43; 943.89] | 
|
| Cp,gas | 663.89 | J/mol×K | 742.43 | Joback Calculated Property |
| Cp,gas | 681.70 | J/mol×K | 776.01 | Joback Calculated Property |
| Cp,gas | 699.55 | J/mol×K | 809.58 | Joback Calculated Property |
| Cp,gas | 717.73 | J/mol×K | 843.16 | Joback Calculated Property |
| Cp,gas | 736.52 | J/mol×K | 876.74 | Joback Calculated Property |
| Cp,gas | 756.20 | J/mol×K | 910.31 | Joback Calculated Property |
| Cp,gas | 777.05 | J/mol×K | 943.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cedran-diol, (8S,14)-.
Sources
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