- InChI
- InChI=1S/C12H18O/c1-9-5-11(6-10(2)13)8-12(3,4)7-9/h5-6H,7-8H2,1-4H3/b11-6+
- InChI Key
- BPMFQXXZWSBLRP-IZZDOVSWSA-N
- Formula
- C12H18O
- SMILES
- CC(=O)C=C1C=C(C)CC(C)(C)C1
- Molecular Weight1
- 178.27
- CAS
- 16695-73-1
- Other Names
-
- (1Z)-1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone
- cis-2-Propanone, 1-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-
- 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° | 5.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -211.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.07 | kJ/mol | Joback Calculated Property |
| log10WS | -3.49 | Crippen Calculated Property | |
| logPoct/wat | 3.268 | Crippen Calculated Property | |
| McVol | 162.050 | ml/mol | McGowan Calculated Property |
| Pc | 2482.59 | kPa | Joback Calculated Property |
| Inp | 1436.00 | NIST | |
| Tboil | 558.40 | K | Joback Calculated Property |
| Tc | 777.62 | K | Joback Calculated Property |
| Tfus | 329.85 | K | Joback Calculated Property |
| Vc | 0.614 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [387.95; 476.66] | J/mol×K | [558.40; 777.62] | 
|
| Cp,gas | 387.95 | J/mol×K | 558.40 | Joback Calculated Property |
| Cp,gas | 404.87 | J/mol×K | 594.94 | Joback Calculated Property |
| Cp,gas | 420.78 | J/mol×K | 631.47 | Joback Calculated Property |
| Cp,gas | 435.79 | J/mol×K | 668.01 | Joback Calculated Property |
| Cp,gas | 450.03 | J/mol×K | 704.55 | Joback Calculated Property |
| Cp,gas | 463.61 | J/mol×K | 741.09 | Joback Calculated Property |
| Cp,gas | 476.66 | J/mol×K | 777.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propanone, 1-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-, (Z)-.
Sources
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