- InChI
- InChI=1S/C13H22O/c1-11-7-6-9-13(2,3)12(11)8-4-5-10-14/h10,12H,1,4-9H2,2-3H3
- InChI Key
- LEXVMOJLXLEPJE-UHFFFAOYSA-N
- Formula
- C13H22O
- SMILES
- C=C1CCCC(C)(C)C1CCCC=O
- Molecular Weight1
- 194.31
- CAS
- 95452-13-4
- 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° | 23.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -263.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.38 | kJ/mol | Joback Calculated Property |
| log10WS | -3.81 | Crippen Calculated Property | |
| logPoct/wat | 3.738 | Crippen Calculated Property | |
| McVol | 180.440 | ml/mol | McGowan Calculated Property |
| Pc | 2151.31 | kPa | Joback Calculated Property |
| Inp | 1703.00 | NIST | |
| Tboil | 559.78 | K | Joback Calculated Property |
| Tc | 762.61 | K | Joback Calculated Property |
| Tfus | 318.99 | K | Joback Calculated Property |
| Vc | 0.695 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [456.24; 555.76] | J/mol×K | [559.78; 762.61] | 
|
| Cp,gas | 456.24 | J/mol×K | 559.78 | Joback Calculated Property |
| Cp,gas | 475.07 | J/mol×K | 593.58 | Joback Calculated Property |
| Cp,gas | 492.88 | J/mol×K | 627.39 | Joback Calculated Property |
| Cp,gas | 509.76 | J/mol×K | 661.19 | Joback Calculated Property |
| Cp,gas | 525.81 | J/mol×K | 695.00 | Joback Calculated Property |
| Cp,gas | 541.11 | J/mol×K | 728.80 | Joback Calculated Property |
| Cp,gas | 555.76 | J/mol×K | 762.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(2,2-Dimethyl-6-methylenecyclohexyl)butanal.
Sources
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