Chemical Properties of Benzoic acid, 3,4,5-trimethoxy- (CAS 118-41-2)

InChI

InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)

InChI Key

SJSOFNCYXJUNBT-UHFFFAOYSA-N

Formula

C10H12O5

SMILES

COc1cc(C(=O)O)cc(OC)c1OC

Molecular Weight¹

212.20

CAS

118-41-2

Other Names

• Eudesmic acid
• Gallic acid trimethyl ether
• Tri-O-methylgallic acid
• Veratric acid, 5-methoxy-
• 3,4,5-Trimethoxybenzoic acid
• Trimethylgallic acid
• NSC 2525

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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_boilr : Boiling point at reduced pressure (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
ω	0.8668		Relay (... Calculated Property
ΔfG°	-463.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-732.08	kJ/mol	Relay (... Calculated Property
ΔfusH°	23.78	kJ/mol	Joback Calculated Property
ΔsubH°	131.20 ± 0.80	kJ/mol	NIST
ΔvapH°	102.09	kJ/mol	Relay (... Calculated Property
IE	8.53	eV	Relay (... Calculated Property
log10WS	-1.89		Relay (... Calculated Property
logPoct/wat	1.411		Crippen Calculated Property
McVol	153.050	ml/mol	McGowan Calculated Property
Pc	3127.99	kPa	Joback Calculated Property
Inp	[1771.80; 1771.80]
Inp	1771.80		NIST
Inp	1771.80		NIST
Tboil	583.65	K	Relay (... Calculated Property
Tc	811.90	K	Relay (... Calculated Property
Tfus	467.70	K	Relay (... Calculated Property
Vc	0.561	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[395.28; 449.51]	J/mol×K	[683.13; 881.29]
Cp,gas	395.28	J/mol×K	683.13	Joback Calculated Property
Cp,gas	405.78	J/mol×K	716.16	Joback Calculated Property
Cp,gas	415.73	J/mol×K	749.18	Joback Calculated Property
Cp,gas	425.10	J/mol×K	782.21	Joback Calculated Property
Cp,gas	433.87	J/mol×K	815.24	Joback Calculated Property
Cp,gas	442.01	J/mol×K	848.26	Joback Calculated Property
Cp,gas	449.51	J/mol×K	881.29	Joback Calculated Property
η	[0.0000353; 0.0005426]	Pa×s	[443.88; 683.13]
η	0.0005426	Pa×s	443.88	Joback Calculated Property
η	0.0002852	Pa×s	483.75	Joback Calculated Property
η	0.0001653	Pa×s	523.63	Joback Calculated Property
η	0.0001035	Pa×s	563.50	Joback Calculated Property
η	0.0000690	Pa×s	603.38	Joback Calculated Property
η	0.0000483	Pa×s	643.25	Joback Calculated Property
η	0.0000353	Pa×s	683.13	Joback Calculated Property
ΔfusH	29.90	kJ/mol	444.50	NIST
ΔsubH	127.90 ± 0.80	kJ/mol	363.00	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Benzoic acid, 3,4,5-trimethoxy-.

Sources

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

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