- InChI
- InChI=1S/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3
- InChI Key
- ZFNVDHOSLNRHNN-UHFFFAOYSA-N
- Formula
- C13H18O
- SMILES
- CC(C=O)Cc1ccc(C(C)C)cc1
- Molecular Weight1
- 190.28
- CAS
- 103-95-7
- Other Names
-
- «alpha»-Methyl-p-isopropylhydrocinnamic aldehyde
- 3-(p-Isopropylphenyl)isobutyraldehyde
- Benzenepropanal, «alpha»-methyl-4-(1-methylethyl)-
- Hydrocinnamaldehyde, p-isopropyl-«alpha»-methyl-
- Aldehyde B
- Cyclamal
- Cyclamen aldehyde
- p-Isopropyl-«alpha»-methylhydrocinnamaldehyde
- p-Isopropyl-«alpha»-methylhydrocinnamic aldehyde
- p-Isopropyl-«alpha»-methylphenylpropyl aldehyde
- «alpha»-Methyl-p-isopropylhydrocinnamaldehyde
- 2-Methyl-3-(p-isopropylphenyl)propionaldehyde
- «beta»-Methyl-p-iso-propyl phenyl propionaldehyde
- 2-Methyl-3-(4-isopropylphenyl)-propanal
- 3-(p-Isopropylphenyl)-2-methylpropionaldehyde
- 3-p-Cumenyl-2-methylpropionaldehyde
- Cymal
- 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.
- 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° | 56.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -182.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.60 | kJ/mol | NIST |
| log10WS | -3.33 | Crippen Calculated Property | |
| logPoct/wat | 3.187 | Crippen Calculated Property | |
| McVol | 171.840 | ml/mol | McGowan Calculated Property |
| Pc | 2356.49 | kPa | Joback Calculated Property |
| Inp | [1424.10; 1436.50] |
|
|
| Inp | 1436.50 | NIST | |
| Inp | 1424.10 | NIST | |
| Inp | 1424.30 | NIST | |
| Inp | 1424.10 | NIST | |
| Inp | 1436.50 | NIST | |
| Tboil | 576.28 | K | Joback Calculated Property |
| Tc | 786.01 | K | Joback Calculated Property |
| Tfus | 287.21 | K | Joback Calculated Property |
| Vc | 0.660 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [417.91; 502.48] | J/mol×K | [576.28; 786.01] |
|
| Cp,gas | 417.91 | J/mol×K | 576.28 | Joback Calculated Property |
| Cp,gas | 434.26 | J/mol×K | 611.24 | Joback Calculated Property |
| Cp,gas | 449.65 | J/mol×K | 646.19 | Joback Calculated Property |
| Cp,gas | 464.14 | J/mol×K | 681.15 | Joback Calculated Property |
| Cp,gas | 477.75 | J/mol×K | 716.10 | Joback Calculated Property |
| Cp,gas | 490.51 | J/mol×K | 751.06 | Joback Calculated Property |
| Cp,gas | 502.48 | J/mol×K | 786.01 | Joback Calculated Property |
| η | [0.0001964; 0.0044374] | Pa×s | [287.21; 576.28] |
|
| η | 0.0044374 | Pa×s | 287.21 | Joback Calculated Property |
| η | 0.0018172 | Pa×s | 335.39 | Joback Calculated Property |
| η | 0.0009313 | Pa×s | 383.57 | Joback Calculated Property |
| η | 0.0005541 | Pa×s | 431.75 | Joback Calculated Property |
| η | 0.0003659 | Pa×s | 479.92 | Joback Calculated Property |
| η | 0.0002606 | Pa×s | 528.10 | Joback Calculated Property |
| η | 0.0001964 | Pa×s | 576.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(4-Isopropylphenyl)-2-methylpropionaldehyde.
Sources
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