Chemical Properties of Benzoic acid, 3-formyl- (CAS 619-21-6)

InChI

InChI=1S/C8H6O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,(H,10,11)

InChI Key

UHDNUPHSDMOGCR-UHFFFAOYSA-N

Formula

C8H6O3

SMILES

O=Cc1cccc(C(=O)O)c1

Molecular Weight¹

150.13

CAS

619-21-6

Other Names

• 3-Carboxybenzaldehyde
• 3-formylbenzoic acid

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[139.02; 312.05]	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			-7.99000e+00
Coefficient B			6.50700e-01
Coefficient C			-4.41160e-04
Coefficient D			1.10500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	139.02	J/mol×K	273.00	Calculated Property
Cp,gas	171.89	J/mol×K	353.78	Calculated Property
Cp,gas	200.54	J/mol×K	434.56	Calculated Property
Cp,gas	225.30	J/mol×K	515.33	Calculated Property
Cp,gas	246.54	J/mol×K	596.11	Calculated Property
Cp,gas	264.60	J/mol×K	676.89	Calculated Property
Cp,gas	279.83	J/mol×K	757.67	Calculated Property
Cp,gas	292.59	J/mol×K	838.44	Calculated Property
Cp,gas	303.21	J/mol×K	919.22	Calculated Property
Cp,gas	312.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012280; 0.0003186]	Pa×s	[421.46; 588.03]	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			-1.14655e+01
Coefficient B			2.00745e+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.			421.46
Temperature range, max.			588.03
η	0.0012280	Pa×s	421.46	Calculated Property
η	0.0010050	Pa×s	439.97	Calculated Property
η	0.0008359	Pa×s	458.48	Calculated Property
η	0.0007053	Pa×s	476.98	Calculated Property
η	0.0006027	Pa×s	495.49	Calculated Property
η	0.0005209	Pa×s	514.00	Calculated Property
η	0.0004548	Pa×s	532.51	Calculated Property
η	0.0004007	Pa×s	551.02	Calculated Property
η	0.0003560	Pa×s	569.52	Calculated Property
η	0.0003186	Pa×s	588.03	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 3-formyl-.

Sources

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

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