- InChI
- InChI=1S/C13H18O/c1-10(2)11-5-7-12(8-6-11)13(3,4)9-14/h5-10H,1-4H3
- InChI Key
- HGECJFVPNUYRJZ-UHFFFAOYSA-N
- Formula
- C13H18O
- SMILES
- CC(C)c1ccc(C(C)(C)C=O)cc1
- Molecular Weight1
- 190.28
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | 62.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -186.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.51 | kJ/mol | Joback Calculated Property |
| log10WS | -3.25 | Crippen Calculated Property | |
| logPoct/wat | 3.287 | Crippen Calculated Property | |
| McVol | 171.840 | ml/mol | McGowan Calculated Property |
| Pc | 2381.86 | kPa | Joback Calculated Property |
| Inp | [1444.00; 1444.00] |
|
|
| Inp | 1444.00 | NIST | |
| Inp | 1444.00 | NIST | |
| I | [1954.00; 1954.00] |
|
|
| I | 1954.00 | NIST | |
| I | 1954.00 | NIST | |
| Tboil | 573.49 | K | Joback Calculated Property |
| Tc | 791.49 | K | Joback Calculated Property |
| Tfus | 304.63 | K | Joback Calculated Property |
| Vc | 0.655 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [420.75; 506.68] | J/mol×K | [573.49; 791.49] |
|
| Cp,gas | 420.75 | J/mol×K | 573.49 | Joback Calculated Property |
| Cp,gas | 437.67 | J/mol×K | 609.82 | Joback Calculated Property |
| Cp,gas | 453.47 | J/mol×K | 646.16 | Joback Calculated Property |
| Cp,gas | 468.21 | J/mol×K | 682.49 | Joback Calculated Property |
| Cp,gas | 481.95 | J/mol×K | 718.82 | Joback Calculated Property |
| Cp,gas | 494.76 | J/mol×K | 755.15 | Joback Calculated Property |
| Cp,gas | 506.68 | J/mol×K | 791.49 | Joback Calculated Property |
| η | [0.0001904; 0.0040558] | Pa×s | [304.63; 573.49] |
|
| η | 0.0040558 | Pa×s | 304.63 | Joback Calculated Property |
| η | 0.0017567 | Pa×s | 349.44 | Joback Calculated Property |
| η | 0.0009203 | Pa×s | 394.25 | Joback Calculated Property |
| η | 0.0005501 | Pa×s | 439.06 | Joback Calculated Property |
| η | 0.0003617 | Pa×s | 483.87 | Joback Calculated Property |
| η | 0.0002554 | Pa×s | 528.68 | Joback Calculated Property |
| η | 0.0001904 | Pa×s | 573.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanal, 2-methyl-2-(4-isopropylphenyl).
Sources
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