- InChI
- InChI=1S/C13H20O/c1-9(2)12-10-6-4-5-7-13(10,3)8-11(12)14/h9H,4-8H2,1-3H3
- InChI Key
- AFVWSBDXRVPTBE-UHFFFAOYSA-N
- Formula
- C13H20O
- SMILES
- CC(C)C1=C2CCCCC2(C)CC1=O
- Molecular Weight1
- 192.30
- Other Names
-
- 2,4,5,6,7,7«alpha»-Hexahydro-3-(1-methylethyl)-7«alpha»-methyl-1H-2-indenone
- 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 | 0.3940 | Relay (... Calculated Property | |
| ΔfG° | 31.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -223.77 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 8.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.59 | kJ/mol | Relay (... Calculated Property |
| IE | 8.76 | eV | Relay (... Calculated Property |
| log10WS | -3.36 | Relay (... Calculated Property | |
| logPoct/wat | 3.492 | Crippen Calculated Property | |
| McVol | 169.580 | ml/mol | McGowan Calculated Property |
| Pc | 2490.03 | kPa | Joback Calculated Property |
| Inp | 1663.00 | NIST | |
| Tboil | 521.39 | K | Relay (... Calculated Property |
| Tc | 763.07 | K | Relay (... Calculated Property |
| Tfus | 348.25 | K | Relay (... Calculated Property |
| Vc | 0.594 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [452.52; 557.20] | J/mol×K | [604.54; 840.70] | 
|
| Cp,gas | 452.52 | J/mol×K | 604.54 | Joback Calculated Property |
| Cp,gas | 472.36 | J/mol×K | 643.90 | Joback Calculated Property |
| Cp,gas | 491.03 | J/mol×K | 683.26 | Joback Calculated Property |
| Cp,gas | 508.70 | J/mol×K | 722.62 | Joback Calculated Property |
| Cp,gas | 525.52 | J/mol×K | 761.98 | Joback Calculated Property |
| Cp,gas | 541.63 | J/mol×K | 801.34 | Joback Calculated Property |
| Cp,gas | 557.20 | J/mol×K | 840.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1H-2-Indenone,2,4,5,6,7,7a-hexahydro-3-(1-methylethyl)-7a-methyl.
Sources
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