- InChI
- InChI=1S/C9H14O/c1-7-4-5-8(6-10)9(7,2)3/h4,6,8H,5H2,1-3H3
- InChI Key
- KUSHNIVDXXIKCE-UHFFFAOYSA-N
- Formula
- C9H14O
- SMILES
- CC1=CCC(C=O)C1(C)C
- Molecular Weight1
- 138.21
- 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° | -30.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -212.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.10 | kJ/mol | Joback Calculated Property |
| log10WS | -2.13 | Crippen Calculated Property | |
| logPoct/wat | 2.178 | Crippen Calculated Property | |
| McVol | 124.080 | ml/mol | McGowan Calculated Property |
| Pc | 3103.64 | kPa | Joback Calculated Property |
| Inp | [1097.00; 1097.00] |
|
|
| Inp | 1097.00 | NIST | |
| Inp | 1097.00 | NIST | |
| Tboil | 468.97 | K | Joback Calculated Property |
| Tc | 677.79 | K | Joback Calculated Property |
| Tfus | 277.03 | K | Joback Calculated Property |
| Vc | 0.480 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [269.64; 346.54] | J/mol×K | [468.97; 677.79] |
|
| Cp,gas | 269.64 | J/mol×K | 468.97 | Joback Calculated Property |
| Cp,gas | 284.59 | J/mol×K | 503.77 | Joback Calculated Property |
| Cp,gas | 298.56 | J/mol×K | 538.58 | Joback Calculated Property |
| Cp,gas | 311.64 | J/mol×K | 573.38 | Joback Calculated Property |
| Cp,gas | 323.94 | J/mol×K | 608.18 | Joback Calculated Property |
| Cp,gas | 335.54 | J/mol×K | 642.98 | Joback Calculated Property |
| Cp,gas | 346.54 | J/mol×K | 677.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,3-Trimethyl-3-cyclopentene-1-acetaldehyde.
Sources
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