Chemical Properties of Benzaldehyde, 2-hydroxy, 5-(t-butyl) (CAS 2725-53-3)

InChI

InChI=1S/C11H14O2/c1-11(2,3)9-4-5-10(13)8(6-9)7-12/h4-7,13H,1-3H3

InChI Key

ZVCQQLGWGRTXGC-UHFFFAOYSA-N

Formula

C11H14O2

SMILES

CC(C)(C)c1ccc(O)c(C=O)c1

Molecular Weight¹

178.23

CAS

2725-53-3

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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 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	[204.47; 479.93]	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			-4.87100e+01
Coefficient B			1.16536e+00
Coefficient C			-9.59920e-04
Coefficient D			3.23200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	204.47	J/mol×K	273.00	Calculated Property
Cp,gas	257.74	J/mol×K	353.78	Calculated Property
Cp,gas	302.96	J/mol×K	434.56	Calculated Property
Cp,gas	341.15	J/mol×K	515.33	Calculated Property
Cp,gas	373.33	J/mol×K	596.11	Calculated Property
Cp,gas	400.53	J/mol×K	676.89	Calculated Property
Cp,gas	423.77	J/mol×K	757.67	Calculated Property
Cp,gas	444.07	J/mol×K	838.44	Calculated Property
Cp,gas	462.45	J/mol×K	919.22	Calculated Property
Cp,gas	479.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011022; 0.0000453]	Pa×s	[408.81; 588.53]	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			-1.72659e+01
Coefficient B			4.27431e+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.			408.81
Temperature range, max.			588.53
η	0.0011022	Pa×s	408.81	Calculated Property
η	0.0006773	Pa×s	428.78	Calculated Property
η	0.0004346	Pa×s	448.75	Calculated Property
η	0.0002897	Pa×s	468.72	Calculated Property
η	0.0001996	Pa×s	488.69	Calculated Property
η	0.0001416	Pa×s	508.66	Calculated Property
η	0.0001031	Pa×s	528.63	Calculated Property
η	0.0000768	Pa×s	548.60	Calculated Property
η	0.0000584	Pa×s	568.57	Calculated Property
η	0.0000453	Pa×s	588.53	Calculated Property

Similar Compounds

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

Sources

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

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