Chemical Properties of Benzoic acid, 2,4-dimethoxy- (CAS 91-52-1)

InChI

InChI=1S/C9H10O4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H,10,11)

InChI Key

GPVDHNVGGIAOQT-UHFFFAOYSA-N

Formula

C9H10O4

SMILES

COc1ccc(C(=O)O)c(OC)c1

Molecular Weight¹

182.17

CAS

91-52-1

Other Names

• 2,4-Dimethoxybenzoic acid

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (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_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	0.7893		Relay (1.0) Calculated Property
ΔcH°solid	-4258.60 ± 0.80	kJ/mol	NIST
ΔfG°	-357.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-600.64	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-712.20 ± 1.40	kJ/mol	NIST
ΔfusH°	20.39	kJ/mol	Joback Calculated Property
ΔsubH°	[123.40; 123.40]	kJ/mol
ΔsubH°	123.40 ± 0.40	kJ/mol	NIST
ΔsubH°	123.40 ± 0.40	kJ/mol	NIST
ΔvapH°	94.28	kJ/mol	Relay (1.0) Calculated Property
IE	8.37	eV	Relay (1.0) Calculated Property
log10WS	-2.51		Relay (1.0) Calculated Property
logPoct/wat	1.402		Crippen Calculated Property
McVol	133.090	ml/mol	McGowan Calculated Property
Pc	3628.97	kPa	Joback Calculated Property
Inp	1567.00		NIST
Tboil	578.07	K	Relay (1.0) Calculated Property
Tc	794.21	K	Relay (1.0) Calculated Property
Tfus	[380.15; 384.86]	K
Tfus	384.86	K	Determination and Modeling of the Solubility of 2,4-Dimethoxybenzoic Acid in Six Pure and Isopropanol + Ethyl Acetate Mixed Organic Solvents at Temperatures From (288.15 to 323.15) K
Tfus	380.15 ± 0.30	K	NIST
Tfus	380.45 ± 0.20	K	NIST
Vc	0.486	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[324.57; 376.13]	J/mol×K	[632.85; 834.15]
Cp,gas	324.57	J/mol×K	632.85	Joback Calculated Property
Cp,gas	334.47	J/mol×K	666.40	Joback Calculated Property
Cp,gas	343.86	J/mol×K	699.95	Joback Calculated Property
Cp,gas	352.73	J/mol×K	733.50	Joback Calculated Property
Cp,gas	361.07	J/mol×K	767.05	Joback Calculated Property
Cp,gas	368.87	J/mol×K	800.60	Joback Calculated Property
Cp,gas	376.13	J/mol×K	834.15	Joback Calculated Property
η	[0.0000571; 0.0012398]	Pa×s	[397.86; 632.85]
η	0.0012398	Pa×s	397.86	Joback Calculated Property
η	0.0005897	Pa×s	437.03	Joback Calculated Property
η	0.0003170	Pa×s	476.19	Joback Calculated Property
η	0.0001872	Pa×s	515.36	Joback Calculated Property
η	0.0001191	Pa×s	554.52	Joback Calculated Property
η	0.0000805	Pa×s	593.68	Joback Calculated Property
η	0.0000571	Pa×s	632.85	Joback Calculated Property
ΔsubH	120.50 ± 0.40	kJ/mol	356.50	NIST

Similar Compounds

Find more compounds similar to Benzoic acid, 2,4-dimethoxy-.

Mixtures

• Benzoic acid, 2,4-dimethoxy- + Ethanol
• Benzoic acid, 2,4-dimethoxy- + 1-Propanol
• Benzoic acid, 2,4-dimethoxy- + Isopropyl Alcohol
• Benzoic acid, 2,4-dimethoxy- + 1-Butanol
• Benzoic acid, 2,4-dimethoxy- + 1-Propanol, 2-methyl-
• Benzoic acid, 2,4-dimethoxy- + Ethyl Acetate
• Benzoic acid, 2,4-dimethoxy- + Isopropyl Alcohol + Ethyl Acetate

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Determination and Modeling of the Solubility of 2,4-Dimethoxybenzoic Acid in Six Pure and Isopropanol + Ethyl Acetate Mixed Organic Solvents at Temperatures From (288.15 to 323.15) K
• Joback Method
• McGowan Method
• NIST Webbook

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