- InChI
- InChI=1S/C15H16O/c1-15-9-8-13(16)10-12(15)7-6-11-4-2-3-5-14(11)15/h2-5,10H,6-9H2,1H3
- InChI Key
- FSPGJSRKHCJARC-UHFFFAOYSA-N
- Formula
- C15H16O
- SMILES
- CC12CCC(=O)C=C1CCc1ccccc12
- Molecular Weight1
- 212.29
- CAS
- 6606-34-4
- Other Names
-
- 2(3H)-Phenanthrone, 4,4a,9,10-tetrahydro-4a-methyl-
- 4a-Methyl-4,4a,9,10-tetrahydro-2(3H)-phenanthrenone
- 4,4a,9,10-Tetrahydro-4a-methyl-2(3H)-phenanthrenone
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 175.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -50.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.45 | kJ/mol | Joback Calculated Property |
| log10WS | -3.77 | Crippen Calculated Property | |
| logPoct/wat | 3.180 | Crippen Calculated Property | |
| McVol | 174.000 | ml/mol | McGowan Calculated Property |
| Pc | 2775.92 | kPa | Joback Calculated Property |
| Inp | 288.30 | NIST | |
| Tboil | 673.15 | K | Joback Calculated Property |
| Tc | 935.55 | K | Joback Calculated Property |
| Tfus | 436.23 | K | Joback Calculated Property |
| Vc | 0.657 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [475.96; 576.75] | J/mol×K | [673.15; 935.55] | 
|
| Cp,gas | 475.96 | J/mol×K | 673.15 | Joback Calculated Property |
| Cp,gas | 494.74 | J/mol×K | 716.88 | Joback Calculated Property |
| Cp,gas | 512.40 | J/mol×K | 760.62 | Joback Calculated Property |
| Cp,gas | 529.17 | J/mol×K | 804.35 | Joback Calculated Property |
| Cp,gas | 545.33 | J/mol×K | 848.08 | Joback Calculated Property |
| Cp,gas | 561.10 | J/mol×K | 891.82 | Joback Calculated Property |
| Cp,gas | 576.75 | J/mol×K | 935.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2(3H)-Phenanthrenone, 4,4a,9,10-tetrahydro-4a-methyl-.
Sources
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