- InChI
- InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h5,7,9H,4,6H2,1-3H3
- InChI Key
- ZVZRJSHOOULAGB-UHFFFAOYSA-N
- Formula
- C10H16O
- SMILES
- CC1=CCCC(C)(C)C1C=O
- Molecular Weight1
- 152.23
- CAS
- 432-24-6
- Other Names
-
- 2,6,6-Trimethyl-2-cyclohexene-1-carboxaldehyde
- «alpha»-Cyclocitral
- Filipendulal
- 1-Formyl-2,6,6-trimethyl-2-cyclohexene
- 2,6,6-Trimethylcyclohex-2-en-1-carboxaldehyde
- 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde
- 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.
- I : 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° | -34.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -239.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.50 | kJ/mol | Joback Calculated Property |
| log10WS | -2.55 | Crippen Calculated Property | |
| logPoct/wat | 2.568 | Crippen Calculated Property | |
| McVol | 138.170 | ml/mol | McGowan Calculated Property |
| Pc | 2871.95 | kPa | Joback Calculated Property |
| Inp | [1095.00; 1127.00] |
|
|
| Inp | 1096.30 | NIST | |
| Inp | 1097.50 | NIST | |
| Inp | 1122.90 | NIST | |
| Inp | 1102.00 | NIST | |
| Inp | 1116.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1105.00 | NIST | |
| Inp | 1116.00 | NIST | |
| Inp | 1127.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1095.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1102.00 | NIST | |
| I | [1420.00; 1430.00] |
|
|
| I | 1420.00 | NIST | |
| I | 1430.00 | NIST | |
| I | 1420.00 | NIST | |
| Tboil | 496.12 | K | Joback Calculated Property |
| Tc | 709.88 | K | Joback Calculated Property |
| Tfus | 284.78 | K | Joback Calculated Property |
| Vc | 0.528 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [313.56; 400.37] | J/mol×K | [496.12; 709.88] |
|
| Cp,gas | 313.56 | J/mol×K | 496.12 | Joback Calculated Property |
| Cp,gas | 330.31 | J/mol×K | 531.75 | Joback Calculated Property |
| Cp,gas | 346.01 | J/mol×K | 567.37 | Joback Calculated Property |
| Cp,gas | 360.76 | J/mol×K | 603.00 | Joback Calculated Property |
| Cp,gas | 374.68 | J/mol×K | 638.62 | Joback Calculated Property |
| Cp,gas | 387.85 | J/mol×K | 674.25 | Joback Calculated Property |
| Cp,gas | 400.37 | J/mol×K | 709.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-.
Sources
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