- InChI
- InChI=1S/C11H16O/c1-11-6-3-2-4-9(11)8-10(12)5-7-11/h8H,2-7H2,1H3/t11-/m0/s1
- InChI Key
- OHERZLWVBJCXOF-NSHDSACASA-N
- Formula
- C11H16O
- SMILES
- CC12CCCCC1=CC(=O)CC2
- Molecular Weight1
- 164.24
- CAS
- 63975-59-7
- Other Names
-
- R-(-)-4,4a,5,6,7,8-Hexahydro-4a-methyl-2(3H)-naphthalinone
- (R)-(-)-10-Methyl-1(9)-octal-2-one
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | 14.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -205.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 5.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.95 | kJ/mol | Joback Calculated Property |
| log10WS | -3.11 | Crippen Calculated Property | |
| logPoct/wat | 2.856 | Crippen Calculated Property | |
| McVol | 141.400 | ml/mol | McGowan Calculated Property |
| Pc | 3156.17 | kPa | Joback Calculated Property |
| Tboil | 558.51 | K | Joback Calculated Property |
| Tc | 807.11 | K | Joback Calculated Property |
| Tfus | 345.17 | K | Joback Calculated Property |
| Vc | 0.525 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [353.72; 454.79] | J/mol×K | [558.51; 807.11] | 
|
| Cp,gas | 353.72 | J/mol×K | 558.51 | Joback Calculated Property |
| Cp,gas | 373.36 | J/mol×K | 599.94 | Joback Calculated Property |
| Cp,gas | 391.65 | J/mol×K | 641.38 | Joback Calculated Property |
| Cp,gas | 408.77 | J/mol×K | 682.81 | Joback Calculated Property |
| Cp,gas | 424.89 | J/mol×K | 724.24 | Joback Calculated Property |
| Cp,gas | 440.18 | J/mol×K | 765.68 | Joback Calculated Property |
| Cp,gas | 454.79 | J/mol×K | 807.11 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 428.20 | K | 2.30 | NIST |
Similar Compounds
Find more compounds similar to (R)-(-)-4,4a,5,6,7,8-Hexahydro-4a-methyl-2(3H)-naphthalenone.
Sources
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