- InChI
- InChI=1S/C16H28O/c1-11(2)14(17)16(5)10-9-15(4)8-6-7-12(3)13(15)16/h11,13-14,17H,3,6-10H2,1-2,4-5H3/t13-,14+,15-,16-/m1/s1
- InChI Key
- XOCDJJVJLDUYLX-QKPAOTATSA-N
- Formula
- C16H28O
- SMILES
-
C=C1CCCC2(C)CCC(C)(C(O)C(C)C)C
12 - 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° | 61.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -314.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.00 | 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 | 2001.91 | kPa | Joback Calculated Property |
| Inp | [1533.00; 1552.00] |
|
|
| Inp | 1542.00 | NIST | |
| Inp | 1541.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1533.00 | NIST | |
| Tboil | 678.04 | K | Joback Calculated Property |
| Tc | 883.93 | K | Joback Calculated Property |
| Tfus | 383.46 | K | Joback Calculated Property |
| Vc | 0.807 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [644.39; 754.96] | J/mol×K | [678.04; 883.93] |
|
| Cp,gas | 644.39 | J/mol×K | 678.04 | Joback Calculated Property |
| Cp,gas | 664.00 | J/mol×K | 712.35 | Joback Calculated Property |
| Cp,gas | 682.87 | J/mol×K | 746.67 | Joback Calculated Property |
| Cp,gas | 701.20 | J/mol×K | 780.98 | Joback Calculated Property |
| Cp,gas | 719.19 | J/mol×K | 815.30 | Joback Calculated Property |
| Cp,gas | 737.04 | J/mol×K | 849.61 | Joback Calculated Property |
| Cp,gas | 754.96 | J/mol×K | 883.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Dracunculifoliol.
Sources
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