- InChI
- InChI=1S/C15H24O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h11-13H,1,5-9H2,2-4H3
- InChI Key
- NMALGKNZYKRHCE-UHFFFAOYSA-N
- Formula
- C15H24O
- SMILES
- C=C(C)C1CCC2CC(=O)CC(C)C2(C)C1
- Molecular Weight1
- 220.35
- CAS
- 20489-53-6
- Other Names
-
- 2(1H)-Naphthalenone, octahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (4R,4aS,6R,8aS)-
- 4,4a-dimethyl-6-prop-1-en-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
- DIHIDRONOOTKATONE
- 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 | 0.3874 | Relay (1.0) Calculated Property | |
| ΔfG° | 84.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -274.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.984 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 1998.33 | kPa | Joback Calculated Property |
| Inp | [1761.00; 1766.00] |
|
|
| Inp | 1766.00 | NIST | |
| Inp | 1766.00 | NIST | |
| Inp | 1761.00 | NIST | |
| Inp | 1766.00 | NIST | |
| I | 2384.00 | NIST | |
| Tboil | 573.28 | K | Relay (1.0) Calculated Property |
| Tc | 793.61 | K | Relay (1.0) Calculated Property |
| Tfus | 371.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.651 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [563.28; 690.37] | J/mol×K | [628.44; 863.24] |
|
| Cp,gas | 563.28 | J/mol×K | 628.44 | Joback Calculated Property |
| Cp,gas | 587.52 | J/mol×K | 667.57 | Joback Calculated Property |
| Cp,gas | 610.35 | J/mol×K | 706.71 | Joback Calculated Property |
| Cp,gas | 631.90 | J/mol×K | 745.84 | Joback Calculated Property |
| Cp,gas | 652.33 | J/mol×K | 784.97 | Joback Calculated Property |
| Cp,gas | 671.78 | J/mol×K | 824.11 | Joback Calculated Property |
| Cp,gas | 690.37 | J/mol×K | 863.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,10-dihydronootkatone.
Sources
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