- InChI
- InChI=1S/C17H26O2/c1-12(11-19-14(3)18)6-5-9-17(4)13(2)15-7-8-16(17)10-15/h6,15-16H,2,5,7-11H2,1,3-4H3/b12-6+/t15-,16+,17-/m1/s1
- InChI Key
- RCFGRZLLBGMERD-UTLCUASFSA-N
- Formula
- C17H26O2
- SMILES
-
C=C1C2CCC(C2)C1(C)CCC=C(C)COC(
C)=O - Molecular Weight1
- 262.39
- 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° | 79.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -313.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.33 | kJ/mol | Joback Calculated Property |
| log10WS | -4.57 | Crippen Calculated Property | |
| logPoct/wat | 4.268 | Crippen Calculated Property | |
| McVol | 227.510 | ml/mol | McGowan Calculated Property |
| Pc | 1692.12 | kPa | Joback Calculated Property |
| Inp | [1799.00; 1799.00] |
|
|
| Inp | 1799.00 | NIST | |
| Inp | 1799.00 | NIST | |
| Tboil | 681.17 | K | Joback Calculated Property |
| Tc | 886.42 | K | Joback Calculated Property |
| Tfus | 400.17 | K | Joback Calculated Property |
| Vc | 0.879 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [658.97; 763.38] | J/mol×K | [681.17; 886.42] |
|
| Cp,gas | 658.97 | J/mol×K | 681.17 | Joback Calculated Property |
| Cp,gas | 678.12 | J/mol×K | 715.38 | Joback Calculated Property |
| Cp,gas | 696.38 | J/mol×K | 749.59 | Joback Calculated Property |
| Cp,gas | 713.90 | J/mol×K | 783.80 | Joback Calculated Property |
| Cp,gas | 730.81 | J/mol×K | 818.00 | Joback Calculated Property |
| Cp,gas | 747.25 | J/mol×K | 852.21 | Joback Calculated Property |
| Cp,gas | 763.38 | J/mol×K | 886.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to epi-«beta»-Santalol, acetate.
Sources
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