Chemical Properties of Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, methyl ester (CAS 34874-90-3)

InChI

InChI=1S/C10H10O5/c1-5-3-7(12)6(4-11)9(13)8(5)10(14)15-2/h3-4,12-13H,1-2H3

InChI Key

PXFMUVDLJWXOQM-UHFFFAOYSA-N

Formula

C10H10O5

SMILES

COC(=O)c1c(C)cc(O)c(C=O)c1O

Molecular Weight¹

210.18

CAS

34874-90-3

Other Names

• Methyl haematommate
• Methyl hematommate

• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-516.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-721.14	kJ/mol	Joback Calculated Property
ΔfusH°	31.56	kJ/mol	Joback Calculated Property
ΔvapH°	83.36	kJ/mol	Joback Calculated Property
log10WS	-1.53		Crippen Calculated Property
logPoct/wat	1.005		Crippen Calculated Property
McVol	148.750	ml/mol	McGowan Calculated Property
Pc	4697.74	kPa	Joback Calculated Property
Inp	[1669.00; 1669.00]
Inp	1669.00		NIST
Inp	1669.00		NIST
Tboil	751.03	K	Joback Calculated Property
Tc	985.48	K	Joback Calculated Property
Tfus	591.52	K	Joback Calculated Property
Vc	0.461	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[399.94; 450.69]	J/mol×K	[751.03; 985.48]
Cp,gas	399.94	J/mol×K	751.03	Joback Calculated Property
Cp,gas	408.98	J/mol×K	790.10	Joback Calculated Property
Cp,gas	417.65	J/mol×K	829.18	Joback Calculated Property
Cp,gas	426.06	J/mol×K	868.25	Joback Calculated Property
Cp,gas	434.30	J/mol×K	907.33	Joback Calculated Property
Cp,gas	442.47	J/mol×K	946.40	Joback Calculated Property
Cp,gas	450.69	J/mol×K	985.48	Joback Calculated Property
η	[0.0000014; 0.0000156]	Pa×s	[591.52; 751.03]
η	0.0000156	Pa×s	591.52	Joback Calculated Property
η	0.0000095	Pa×s	618.11	Joback Calculated Property
η	0.0000061	Pa×s	644.69	Joback Calculated Property
η	0.0000040	Pa×s	671.27	Joback Calculated Property
η	0.0000027	Pa×s	697.86	Joback Calculated Property
η	0.0000019	Pa×s	724.44	Joback Calculated Property
η	0.0000014	Pa×s	751.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, methyl ester.

Sources

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

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