![1(2H)-Naphthalenone, octahydro-4a,8a-dimethyl-7-(1-methylethyl)-, [4aR-(4a«alpha»,7«beta»,8a«alpha»)]-](/cid/79-282-2/1-2H-Naphthalenone-octahydro-4a-8a-dimethyl-7-1-methylethyl-4aR-4a-alpha-7-beta-8a-alpha.png "1(2H)-Naphthalenone, octahydro-4a,8a-dimethyl-7-(1-methylethyl)-, [4aR-(4a«alpha»,7«beta»,8a«alpha»)]-")
- InChI
- InChI=1S/C15H26O/c1-11(2)12-7-9-14(3)8-5-6-13(16)15(14,4)10-12/h11-12H,5-10H2,1-4H3
- InChI Key
- HDVXJTYHXDVWQO-UHFFFAOYSA-N
- Formula
- C15H26O
- SMILES
- CC(C)C1CCC2(C)CCCC(=O)C2(C)C1
- Molecular Weight1
- 222.37
- CAS
- 1803-39-0
- Other Names
-
- 1(2H)-Naphthalenone, octahydro-7«alpha»-isopropyl-4a«beta»,8a«beta»-dimethyl-, (+)-
- Jatamansone, (+)-
- Valeranone, (+)-
- (+)-Valeranone
- 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 | 0.3994 | Relay (... Calculated Property | |
| ΔfG° | 4.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -383.84 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 6.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.70 | kJ/mol | Relay (... Calculated Property |
| IE | 8.75 | eV | Relay (... Calculated Property |
| log10WS | -4.29 | Relay (... Calculated Property | |
| logPoct/wat | 4.208 | Crippen Calculated Property | |
| McVol | 202.060 | ml/mol | McGowan Calculated Property |
| Pc | 2069.88 | kPa | Joback Calculated Property |
| Inp | [1669.00; 1684.80] |
|
|
| Inp | 1684.80 | NIST | |
| Inp | 1669.00 | NIST | |
| Inp | 1669.00 | NIST | |
| Inp | 1684.80 | NIST | |
| Tboil | 554.35 | K | Relay (... Calculated Property |
| Tc | 788.46 | K | Relay (... Calculated Property |
| Tfus | 400.81 | K | Relay (... Calculated Property |
| Vc | 0.689 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [582.33; 714.79] | J/mol×K | [636.35; 876.05] |
|
| Cp,gas | 582.33 | J/mol×K | 636.35 | Joback Calculated Property |
| Cp,gas | 606.66 | J/mol×K | 676.30 | Joback Calculated Property |
| Cp,gas | 629.73 | J/mol×K | 716.25 | Joback Calculated Property |
| Cp,gas | 651.81 | J/mol×K | 756.20 | Joback Calculated Property |
| Cp,gas | 673.17 | J/mol×K | 796.15 | Joback Calculated Property |
| Cp,gas | 694.07 | J/mol×K | 836.10 | Joback Calculated Property |
| Cp,gas | 714.79 | J/mol×K | 876.05 | Joback Calculated Property |
Similar Compounds
Sources
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