- InChI
- InChI=1S/C11H18O2/c1-9-10(5-2-3-8-12)6-4-7-11(9)13/h8-10H,2-7H2,1H3/t9-,10-/m0/s1
- InChI Key
- NQONHVHHNWFPMU-UWVGGRQHSA-N
- Formula
- C11H18O2
- SMILES
- CC1C(=O)CCCC1CCCC=O
- Molecular Weight1
- 182.26
- CAS
- 92485-93-3
- Other Names
-
- 4-(2-Methyl-3-oxocyclohexyl)butanal
- 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 | 0.4967 | Relay (... Calculated Property | |
| ΔfG° | -163.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -438.83 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.45 | kJ/mol | Relay (... Calculated Property |
| IE | 9.20 | eV | Relay (... Calculated Property |
| log10WS | -2.02 | Relay (... Calculated Property | |
| logPoct/wat | 2.361 | Crippen Calculated Property | |
| McVol | 158.130 | ml/mol | McGowan Calculated Property |
| Pc | 2517.59 | kPa | Joback Calculated Property |
| Inp | [1509.00; 1521.00] |
|
|
| Inp | 1509.00 | NIST | |
| Inp | 1521.00 | NIST | |
| Inp | 1509.00 | NIST | |
| Tboil | 526.02 | K | Relay (... Calculated Property |
| Tc | 756.24 | K | Relay (... Calculated Property |
| Tfus | 323.56 | K | Relay (... Calculated Property |
| Vc | 0.531 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [413.50; 509.26] | J/mol×K | [582.44; 795.55] |
|
| Cp,gas | 413.50 | J/mol×K | 582.44 | Joback Calculated Property |
| Cp,gas | 431.84 | J/mol×K | 617.96 | Joback Calculated Property |
| Cp,gas | 449.23 | J/mol×K | 653.48 | Joback Calculated Property |
| Cp,gas | 465.68 | J/mol×K | 688.99 | Joback Calculated Property |
| Cp,gas | 481.16 | J/mol×K | 724.51 | Joback Calculated Property |
| Cp,gas | 495.69 | J/mol×K | 760.03 | Joback Calculated Property |
| Cp,gas | 509.26 | J/mol×K | 795.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanebutanal, 2-methyl-3-oxo-, cis-.
Sources
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