Chemical Properties of Benzeneacetaldehyde, «alpha»-methyl-4-(1,1-dimethylethyl)

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[229.69; 561.23]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.32900e+01
Coefficient B			1.20668e+00
Coefficient C			-8.15560e-04
Coefficient D			2.13400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	229.69	J/mol×K	273.00	Calculated Property
Cp,gas	290.98	J/mol×K	353.78	Calculated Property
Cp,gas	344.58	J/mol×K	434.56	Calculated Property
Cp,gas	391.17	J/mol×K	515.33	Calculated Property
Cp,gas	431.42	J/mol×K	596.11	Calculated Property
Cp,gas	466.01	J/mol×K	676.89	Calculated Property
Cp,gas	495.61	J/mol×K	757.67	Calculated Property
Cp,gas	520.90	J/mol×K	838.44	Calculated Property
Cp,gas	542.54	J/mol×K	919.22	Calculated Property
Cp,gas	561.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040558; 0.0002147]	Pa×s	[304.63; 554.23]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.20325e+01
Coefficient B			1.98767e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			304.63
Temperature range, max.			554.23
η	0.0040558	Pa×s	304.63	Calculated Property
η	0.0023530	Pa×s	332.36	Calculated Property
η	0.0014845	Pa×s	360.10	Calculated Property
η	0.0010004	Pa×s	387.83	Calculated Property
η	0.0007106	Pa×s	415.57	Calculated Property
η	0.0005268	Pa×s	443.30	Calculated Property
η	0.0004046	Pa×s	471.03	Calculated Property
η	0.0003200	Pa×s	498.77	Calculated Property
η	0.0002594	Pa×s	526.50	Calculated Property
η	0.0002147	Pa×s	554.23	Calculated Property

Similar Compounds

Find more compounds similar to Benzeneacetaldehyde, «alpha»-methyl-4-(1,1-dimethylethyl).

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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