- InChI
- InChI=1S/C15H26O2/c1-10(2)11-5-6-13(3)9-12(16)14(4)7-8-15(11,13)17-14/h10-12,16H,5-9H2,1-4H3/t11-,12+,13-,14+,15?/m0/s1
- InChI Key
- VLIUMVVQGMLOJG-DRWKLNATSA-N
- Formula
- C15H26O2
- SMILES
-
CC(C)C1CCC2(C)CC(O)C3(C)CCC12O
3 - Molecular Weight1
- 238.37
- CAS
- 887-08-1
- Other Names
-
- 1H-3a,6-Epoxyazulen-7-ol, octahydro-6,8a-dimethyl-3-(1-methylethyl)-, [3R-(3«alpha»,3a«alpha»,6«alpha»,7«beta»,8a«alpha»)]-
- 1H-3a,6-Epoxyazulen-7-ol, 2,3,4,5,6,7«alpha»,8,8a-octahydro-3«alpha»-isopropyl-6«beta»,8a«alpha»-dimethyl-, (-)-
- cis-5«beta»,8«beta»-Epoxydaucan-9«alpha»-ol
- cis-5«beta»,8«beta»-Epoxydaucan-9«alpha»-ol (Daucol)
- 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ω | 0.5332 | Relay (1.0) Calculated Property | |
| ΔfG° | -23.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -424.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.131 | Crippen Calculated Property | |
| McVol | 201.370 | ml/mol | McGowan Calculated Property |
| Pc | 2361.07 | kPa | Joback Calculated Property |
| Inp | [1624.00; 1646.60] |
|
|
| Inp | 1624.00 | NIST | |
| Inp | 1624.00 | NIST | |
| Inp | 1646.60 | NIST | |
| Inp | 1630.00 | NIST | |
| Inp | 1638.00 | NIST | |
| Inp | 1646.60 | NIST | |
| Inp | 1624.00 | NIST | |
| I | [2284.00; 2292.00] |
|
|
| I | 2284.00 | NIST | |
| I | 2292.00 | NIST | |
| I | 2284.00 | NIST | |
| Tboil | 562.58 | K | Relay (1.0) Calculated Property |
| Tc | 812.06 | K | Relay (1.0) Calculated Property |
| Tfus | 377.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.748 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [628.32; 743.64] | J/mol×K | [681.43; 896.88] |
|
| Cp,gas | 628.32 | J/mol×K | 681.43 | Joback Calculated Property |
| Cp,gas | 647.61 | J/mol×K | 717.34 | Joback Calculated Property |
| Cp,gas | 666.42 | J/mol×K | 753.25 | Joback Calculated Property |
| Cp,gas | 685.08 | J/mol×K | 789.15 | Joback Calculated Property |
| Cp,gas | 703.94 | J/mol×K | 825.06 | Joback Calculated Property |
| Cp,gas | 723.34 | J/mol×K | 860.97 | Joback Calculated Property |
| Cp,gas | 743.64 | J/mol×K | 896.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Daucol.
Sources
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