Chemical Properties of Benzoic acid, 4-formyl-, methyl ester (CAS 1571-08-0)

InChI

InChI=1S/C9H8O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6H,1H3

InChI Key

FEIOASZZURHTHB-UHFFFAOYSA-N

Formula

C9H8O3

SMILES

COC(=O)c1ccc(C=O)cc1

Molecular Weight¹

164.16

CAS

1571-08-0

Other Names

• p-Carbomethoxybenzaldehyde
• 4-Carbomethoxybenzaldehyde
• 4-Carboxybenzaldehyde methyl ester
• p-Formylbenzoic acid methyl ester
• 4-(Methoxycarbonyl)benzaldehyde
• Methyl benzaldehyde-4-carboxylate
• Methyl p-formylbenzoate
• Methyl 4-formylbenzoate
• Methyl terephthalaldehydate
• Terephthalaldehydic acid, methyl ester
• p-Methoxycarbonylbenzaldehyde
• Methyl terephthaldehydate
• 4-HC(O)-C6H4-COOCH3
• 4-Formylbenzoic acid methyl ester
• NSC 28459

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• 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).
• 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

Property	Value	Unit	Source
PAff	832.90	kJ/mol	NIST
BasG	801.90	kJ/mol	NIST
EA	[1.05; 1.16]	eV
EA	1.16 ± 0.09	eV	NIST
EA	1.05 ± 0.09	eV	NIST
ΔfG°	-205.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-334.41	kJ/mol	Joback Calculated Property
ΔfusH°	17.79	kJ/mol	Joback Calculated Property
ΔvapH°	54.44	kJ/mol	Joback Calculated Property
log10WS	-1.96		Crippen Calculated Property
logPoct/wat	1.286		Crippen Calculated Property
McVol	122.920	ml/mol	McGowan Calculated Property
Pc	3690.97	kPa	Joback Calculated Property
Tboil	538.20	K	NIST
Tc	782.61	K	Joback Calculated Property
Tfus	344.29	K	Joback Calculated Property
Vc	0.472	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[271.43; 326.87]	J/mol×K	[561.93; 782.61]
Cp,gas	271.43	J/mol×K	561.93	Joback Calculated Property
Cp,gas	282.25	J/mol×K	598.71	Joback Calculated Property
Cp,gas	292.43	J/mol×K	635.49	Joback Calculated Property
Cp,gas	301.97	J/mol×K	672.27	Joback Calculated Property
Cp,gas	310.88	J/mol×K	709.05	Joback Calculated Property
Cp,gas	319.18	J/mol×K	745.83	Joback Calculated Property
Cp,gas	326.87	J/mol×K	782.61	Joback Calculated Property
η	[0.0002676; 0.0018131]	Pa×s	[344.29; 561.93]
η	0.0018131	Pa×s	344.29	Joback Calculated Property
η	0.0011322	Pa×s	380.56	Joback Calculated Property
η	0.0007674	Pa×s	416.84	Joback Calculated Property
η	0.0005535	Pa×s	453.11	Joback Calculated Property
η	0.0004191	Pa×s	489.38	Joback Calculated Property
η	0.0003297	Pa×s	525.66	Joback Calculated Property
η	0.0002676	Pa×s	561.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-formyl-, methyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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