Chemical Properties of Benzaldehyde, 2-hydroxy, 3-chloro, 5-(t-butyl)

InChI

InChI=1S/C11H13ClO2/c1-11(2,3)8-4-7(6-13)10(14)9(12)5-8/h4-6,14H,1-3H3

InChI Key

WLZAKZNRJOORCP-UHFFFAOYSA-N

Formula

C11H13ClO2

SMILES

CC(C)(C)c1cc(Cl)c(O)c(C=O)c1

Molecular Weight¹

212.68

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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	[220.42; 485.16]	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			-2.15200e+01
Coefficient B			1.11266e+00
Coefficient C			-9.13280e-04
Coefficient D			3.07300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	220.42	J/mol×K	273.00	Calculated Property
Cp,gas	271.42	J/mol×K	353.78	Calculated Property
Cp,gas	314.75	J/mol×K	434.56	Calculated Property
Cp,gas	351.39	J/mol×K	515.33	Calculated Property
Cp,gas	382.31	J/mol×K	596.11	Calculated Property
Cp,gas	408.49	J/mol×K	676.89	Calculated Property
Cp,gas	430.89	J/mol×K	757.67	Calculated Property
Cp,gas	450.49	J/mol×K	838.44	Calculated Property
Cp,gas	468.25	J/mol×K	919.22	Calculated Property
Cp,gas	485.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005256; 0.0000367]	Pa×s	[451.25; 621.10]	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			-1.72892e+01
Coefficient B			4.39437e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			451.25
Temperature range, max.			621.10
η	0.0005256	Pa×s	451.25	Calculated Property
η	0.0003555	Pa×s	470.12	Calculated Property
η	0.0002479	Pa×s	488.99	Calculated Property
η	0.0001775	Pa×s	507.87	Calculated Property
η	0.0001302	Pa×s	526.74	Calculated Property
η	0.0000975	Pa×s	545.61	Calculated Property
η	0.0000745	Pa×s	564.48	Calculated Property
η	0.0000579	Pa×s	583.35	Calculated Property
η	0.0000457	Pa×s	602.23	Calculated Property
η	0.0000367	Pa×s	621.10	Calculated Property

Similar Compounds

Find more compounds similar to Benzaldehyde, 2-hydroxy, 3-chloro, 5-(t-butyl).

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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