- InChI
- InChI=1S/C10H16O2/c1-7-4-8(12)5-10(2,3)9(7)6-11/h6,8,12H,4-5H2,1-3H3
- InChI Key
- SWPMTVXRLXPNDP-UHFFFAOYSA-N
- Formula
- C10H16O2
- SMILES
- CC1=C(C=O)C(C)(C)CC(O)C1
- Molecular Weight1
- 168.23
- CAS
- 35692-94-5
- 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° | -181.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -403.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.84 | kJ/mol | Joback Calculated Property |
| log10WS | -2.17 | Crippen Calculated Property | |
| logPoct/wat | 1.683 | Crippen Calculated Property | |
| McVol | 144.040 | ml/mol | McGowan Calculated Property |
| Pc | 3124.49 | kPa | Joback Calculated Property |
| Inp | 1431.00 | NIST | |
| Tboil | 593.28 | K | Joback Calculated Property |
| Tc | 793.65 | K | Joback Calculated Property |
| Tfus | 358.12 | K | Joback Calculated Property |
| Vc | 0.547 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.03; 442.72] | J/mol×K | [593.28; 793.65] | 
|
| Cp,gas | 371.03 | J/mol×K | 593.28 | Joback Calculated Property |
| Cp,gas | 384.38 | J/mol×K | 626.68 | Joback Calculated Property |
| Cp,gas | 397.07 | J/mol×K | 660.07 | Joback Calculated Property |
| Cp,gas | 409.17 | J/mol×K | 693.47 | Joback Calculated Property |
| Cp,gas | 420.76 | J/mol×K | 726.86 | Joback Calculated Property |
| Cp,gas | 431.91 | J/mol×K | 760.26 | Joback Calculated Property |
| Cp,gas | 442.72 | J/mol×K | 793.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hydroxy-2,6,6-trimethylcyclohex-1-enecarbaldehyde.
Sources
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