- InChI
- InChI=1S/C12H16O/c1-10-5-7-12(8-6-10)11(2)4-3-9-13/h5-9,11H,3-4H2,1-2H3
- InChI Key
- XPYKOJLMORBJQP-UHFFFAOYSA-N
- Formula
- C12H16O
- SMILES
- Cc1ccc(C(C)CCC=O)cc1
- Molecular Weight1
- 176.25
- CAS
- 4895-19-6
- Other Names
-
- 4-(p-Tolyl)pentanal
- 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° | 50.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -156.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.58 | kJ/mol | Joback Calculated Property |
| log10WS | -3.25 | Crippen Calculated Property | |
| logPoct/wat | 3.078 | Crippen Calculated Property | |
| McVol | 157.750 | ml/mol | McGowan Calculated Property |
| Pc | 2571.50 | kPa | Joback Calculated Property |
| Inp | [1406.40; 1406.40] |
|
|
| Inp | 1406.40 | NIST | |
| Inp | 1406.40 | NIST | |
| Tboil | 553.84 | K | Joback Calculated Property |
| Tc | 762.52 | K | Joback Calculated Property |
| Tfus | 290.94 | K | Joback Calculated Property |
| Vc | 0.611 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [369.33; 448.60] | J/mol×K | [553.84; 762.52] |
|
| Cp,gas | 369.33 | J/mol×K | 553.84 | Joback Calculated Property |
| Cp,gas | 384.61 | J/mol×K | 588.62 | Joback Calculated Property |
| Cp,gas | 399.02 | J/mol×K | 623.40 | Joback Calculated Property |
| Cp,gas | 412.59 | J/mol×K | 658.18 | Joback Calculated Property |
| Cp,gas | 425.36 | J/mol×K | 692.96 | Joback Calculated Property |
| Cp,gas | 437.35 | J/mol×K | 727.74 | Joback Calculated Property |
| Cp,gas | 448.60 | J/mol×K | 762.52 | Joback Calculated Property |
| η | [0.0002268; 0.0033642] | Pa×s | [290.94; 553.84] |
|
| η | 0.0033642 | Pa×s | 290.94 | Joback Calculated Property |
| η | 0.0015993 | Pa×s | 334.76 | Joback Calculated Property |
| η | 0.0009031 | Pa×s | 378.57 | Joback Calculated Property |
| η | 0.0005741 | Pa×s | 422.39 | Joback Calculated Property |
| η | 0.0003974 | Pa×s | 466.21 | Joback Calculated Property |
| η | 0.0002931 | Pa×s | 510.02 | Joback Calculated Property |
| η | 0.0002268 | Pa×s | 553.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenebutanal, «gamma»,4-dimethyl-.
Sources
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