![Benzene ethanal,4-[1,1-dimethyl]-, «alpha»-methyl-](/cid/23-151-8/Benzene-ethanal-4-1-1-dimethyl-alpha-methyl.png "Benzene ethanal,4-[1,1-dimethyl]-, «alpha»-methyl-")
- InChI
- InChI=1S/C13H18O/c1-10(9-14)11-5-7-12(8-6-11)13(2,3)4/h5-10H,1-4H3
- InChI Key
- SNOVXNPIRUDJNG-UHFFFAOYSA-N
- Formula
- C13H18O
- SMILES
- CC(C=O)c1ccc(C(C)(C)C)cc1
- Molecular Weight1
- 190.28
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -192.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) 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 | 1441.30 | NIST | |
| Tboil | 522.67 | K | Relay (1.0) Calculated Property |
| Tc | 750.60 | K | Relay (1.0) Calculated Property |
| Tfus | 324.46 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
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 Benzene ethanal,4-[1,1-dimethyl]-, «alpha»-methyl-.
Sources
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