- InChI
- InChI=1S/C11H14O2/c1-11-6-5-9(12)7-8(11)3-2-4-10(11)13/h7H,2-6H2,1H3/t11-/m1/s1
- InChI Key
- DNHDRUMZDHWHKG-LLVKDONJSA-N
- Formula
- C11H14O2
- SMILES
- CC12CCC(=O)C=C1CCCC2=O
- Molecular Weight1
- 178.23
- CAS
- 33878-99-8
- 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).
- 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 | 0.3999 | Relay (1.0) Calculated Property | |
| ΔfG° | -107.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -307.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 4.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.035 | Crippen Calculated Property | |
| McVol | 142.970 | ml/mol | McGowan Calculated Property |
| Pc | 3284.05 | kPa | Joback Calculated Property |
| Tboil | 541.90 | K | Relay (1.0) Calculated Property |
| Tc | 792.62 | K | Relay (1.0) Calculated Property |
| Tfus | 431.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.473 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [384.12; 482.56] | J/mol×K | [626.33; 888.85] | 
|
| Cp,gas | 384.12 | J/mol×K | 626.33 | Joback Calculated Property |
| Cp,gas | 402.84 | J/mol×K | 670.08 | Joback Calculated Property |
| Cp,gas | 420.45 | J/mol×K | 713.84 | Joback Calculated Property |
| Cp,gas | 437.09 | J/mol×K | 757.59 | Joback Calculated Property |
| Cp,gas | 452.89 | J/mol×K | 801.35 | Joback Calculated Property |
| Cp,gas | 468.00 | J/mol×K | 845.10 | Joback Calculated Property |
| Cp,gas | 482.56 | J/mol×K | 888.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9-(S)-Methyl-«delta»-5(10)-octalin-1,6-dione.
Sources
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