- InChI
- InChI=1S/C18H34O2/c1-13(19)7-8-15-17(4)11-6-10-16(2,3)14(17)9-12-18(15,5)20/h13-15,19-20H,6-12H2,1-5H3/t13?,14?,15?,17-,18+/m0/s1
- InChI Key
- HFEFNSOKHKUOER-VKLUZWIXSA-N
- Formula
- C18H34O2
- SMILES
-
CC(O)CCC1C(C)(O)CCC2C(C)(C)CCC
C21C - Molecular Weight1
- 282.46
- 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° | -141.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -618.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.77 | kJ/mol | Joback Calculated Property |
| log10WS | -4.93 | Crippen Calculated Property | |
| logPoct/wat | 4.141 | Crippen Calculated Property | |
| McVol | 254.500 | ml/mol | McGowan Calculated Property |
| Pc | 1798.51 | kPa | Joback Calculated Property |
| Inp | [1873.00; 1873.00] |
|
|
| Inp | 1873.00 | NIST | |
| Inp | 1873.00 | NIST | |
| Tboil | 812.43 | K | Joback Calculated Property |
| Tc | 1013.29 | K | Joback Calculated Property |
| Tfus | 480.04 | K | Joback Calculated Property |
| Vc | 0.949 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [865.16; 1004.71] | J/mol×K | [812.43; 1013.29] |
|
| Cp,gas | 865.16 | J/mol×K | 812.43 | Joback Calculated Property |
| Cp,gas | 886.96 | J/mol×K | 845.91 | Joback Calculated Property |
| Cp,gas | 909.01 | J/mol×K | 879.38 | Joback Calculated Property |
| Cp,gas | 931.56 | J/mol×K | 912.86 | Joback Calculated Property |
| Cp,gas | 954.86 | J/mol×K | 946.34 | Joback Calculated Property |
| Cp,gas | 979.16 | J/mol×K | 979.81 | Joback Calculated Property |
| Cp,gas | 1004.71 | J/mol×K | 1013.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 13R,S-14,15-Dinorlabdane-8,13-diol.
Sources
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