- InChI
- InChI=1S/C10H18O/c1-10(2)6-3-4-9(8-10)5-7-11/h7,9H,3-6,8H2,1-2H3
- InChI Key
- BDNFKTJPCKWKHE-UHFFFAOYSA-N
- Formula
- C10H18O
- SMILES
- CC1(C)CCCC(CC=O)C1
- Molecular Weight1
- 154.25
- 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° | -54.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -286.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.54 | kJ/mol | Joback Calculated Property |
| log10WS | -2.70 | Crippen Calculated Property | |
| logPoct/wat | 2.792 | Crippen Calculated Property | |
| McVol | 142.470 | ml/mol | McGowan Calculated Property |
| Pc | 2808.38 | kPa | Joback Calculated Property |
| Inp | 1130.00 | NIST | |
| Tboil | 491.98 | K | Joback Calculated Property |
| Tc | 702.37 | K | Joback Calculated Property |
| Tfus | 271.50 | K | Joback Calculated Property |
| Vc | 0.542 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [329.44; 424.64] | J/mol×K | [491.98; 702.37] | 
|
| Cp,gas | 329.44 | J/mol×K | 491.98 | Joback Calculated Property |
| Cp,gas | 347.82 | J/mol×K | 527.04 | Joback Calculated Property |
| Cp,gas | 365.06 | J/mol×K | 562.11 | Joback Calculated Property |
| Cp,gas | 381.26 | J/mol×K | 597.17 | Joback Calculated Property |
| Cp,gas | 396.52 | J/mol×K | 632.24 | Joback Calculated Property |
| Cp,gas | 410.95 | J/mol×K | 667.30 | Joback Calculated Property |
| Cp,gas | 424.64 | J/mol×K | 702.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3-dimethylcyclohexaneacetaldehyde.
Sources
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