- InChI
- InChI=1S/C15H26O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h11-14,16H,1,5-9H2,2-4H3
- InChI Key
- VHARGWWXMUPASZ-UHFFFAOYSA-N
- Formula
- C15H26O
- SMILES
- C=C(C)C1CCC2CC(O)CC(C)C2(C)C1
- Molecular Weight1
- 222.37
- CAS
- 53643-07-5
- Other Names
-
- 2,3,4,4a,5,6,7,8-octahydro-4,4a-dimethyl-6-(1-methylvinyl)-2-naphthol
- 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.
- 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 | 0.4897 | Relay (... Calculated Property | |
| ΔfG° | 62.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -340.18 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.05 | kJ/mol | Relay (... Calculated Property |
| IE | 8.60 | eV | Relay (... Calculated Property |
| log10WS | -3.95 | Relay (... Calculated Property | |
| logPoct/wat | 3.776 | Crippen Calculated Property | |
| McVol | 202.060 | ml/mol | McGowan Calculated Property |
| Pc | 2041.91 | kPa | Joback Calculated Property |
| Inp | [1700.00; 1715.00] |
|
|
| Inp | 1715.00 | NIST | |
| Inp | 1700.00 | NIST | |
| Tboil | 589.11 | K | Relay (... Calculated Property |
| Tc | 793.29 | K | Relay (... Calculated Property |
| Tfus | 387.46 | K | Relay (... Calculated Property |
| Vc | 0.684 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [598.16; 710.06] | J/mol×K | [648.13; 853.75] |
|
| Cp,gas | 598.16 | J/mol×K | 648.13 | Joback Calculated Property |
| Cp,gas | 619.17 | J/mol×K | 682.40 | Joback Calculated Property |
| Cp,gas | 639.08 | J/mol×K | 716.67 | Joback Calculated Property |
| Cp,gas | 658.00 | J/mol×K | 750.94 | Joback Calculated Property |
| Cp,gas | 676.06 | J/mol×K | 785.21 | Joback Calculated Property |
| Cp,gas | 693.38 | J/mol×K | 819.48 | Joback Calculated Property |
| Cp,gas | 710.06 | J/mol×K | 853.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to nootkatol.
Sources
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