- InChI
- InChI=1S/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,10-11H,9H2,1-4H3
- InChI Key
- SDQFDHOLCGWZPU-UHFFFAOYSA-N
- Formula
- C14H20O
- SMILES
- CC(C=O)Cc1ccc(C(C)(C)C)cc1
- Molecular Weight1
- 204.31
- CAS
- 80-54-6
- Other Names
-
- Propanal, «alpha»-methyl-«beta»-(p-tert.-butylphenyl)-
- p-tert-Butyl-«alpha»-methylhydrocinnamaldehyde
- Benzenepropanal, 4-(1,1-dimethylethyl)-«alpha»-methyl-
- «alpha»-Methyl-p-(tert-butyl)hydrocinnamaldehyde
- «alpha»-Methyl, «beta»-(p-tert-butylphenyl)propionaldehyde
- p-tert-Butyl-«alpha»-methylhydrocinnamic aldehyde
- Hydrocinnamaldehyde, p-tert-butyl-«alpha»-methyl-
- Lilyal
- Propionaldehyde, «beta»-(4-tert-butylphenyl)-«alpha»-methyl-
- p-t-Butyl-«alpha»-methylhydrocinnamaldehyde
- Benzenepropanal, 4-tert-butyl-«alpha»-methyl-
- Lily aldehyde
- Benzenepropanal, 4-(tert-butyl)-alpha-methyl-
- 4-tert-butyl-«alpha»-methyl hydrocinnamic aldehyde
- 2-[(4-tert-Butylphenyl)methyl]propanal
- NSC 22275
- 2-(4-tert-butylbenzyl)propionaldehyde
- 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° | 70.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -206.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.73 | kJ/mol | Joback Calculated Property |
| log10WS | -3.46 | Crippen Calculated Property | |
| logPoct/wat | 3.362 | Crippen Calculated Property | |
| McVol | 185.930 | ml/mol | McGowan Calculated Property |
| Pc | 2173.43 | kPa | Joback Calculated Property |
| Inp | [1500.00; 1549.00] |
|
|
| Inp | 1500.00 | NIST | |
| Inp | 1535.00 | NIST | |
| Inp | 1533.00 | NIST | |
| Inp | 1532.00 | NIST | |
| Inp | 1535.00 | NIST | |
| Inp | 1549.00 | NIST | |
| Inp | 1529.00 | NIST | |
| Inp | 1535.00 | NIST | |
| Inp | 1529.00 | NIST | |
| Inp | 1532.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Tboil | 596.37 | K | Joback Calculated Property |
| Tc | 810.62 | K | Joback Calculated Property |
| Tfus | 315.90 | K | Joback Calculated Property |
| Vc | 0.712 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [470.46; 559.32] | J/mol×K | [596.37; 810.62] |
|
| Cp,gas | 470.46 | J/mol×K | 596.37 | Joback Calculated Property |
| Cp,gas | 487.89 | J/mol×K | 632.08 | Joback Calculated Property |
| Cp,gas | 504.19 | J/mol×K | 667.79 | Joback Calculated Property |
| Cp,gas | 519.42 | J/mol×K | 703.50 | Joback Calculated Property |
| Cp,gas | 533.64 | J/mol×K | 739.20 | Joback Calculated Property |
| Cp,gas | 546.93 | J/mol×K | 774.91 | Joback Calculated Property |
| Cp,gas | 559.32 | J/mol×K | 810.62 | Joback Calculated Property |
| η | [0.0001717; 0.0038097] | Pa×s | [315.90; 596.37] |
|
| η | 0.0038097 | Pa×s | 315.90 | Joback Calculated Property |
| η | 0.0016292 | Pa×s | 362.65 | Joback Calculated Property |
| η | 0.0008459 | Pa×s | 409.39 | Joback Calculated Property |
| η | 0.0005023 | Pa×s | 456.13 | Joback Calculated Property |
| η | 0.0003286 | Pa×s | 502.88 | Joback Calculated Property |
| η | 0.0002311 | Pa×s | 549.62 | Joback Calculated Property |
| η | 0.0001717 | Pa×s | 596.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Lilial.
Sources
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