Chemical Properties of Benzoic acid, 3,5-dimethoxy-, methyl ester (CAS 2150-37-0)

InChI

InChI=1S/C10H12O4/c1-12-8-4-7(10(11)14-3)5-9(6-8)13-2/h4-6H,1-3H3

InChI Key

YXUIOVUOFQKWDM-UHFFFAOYSA-N

Formula

C10H12O4

SMILES

COC(=O)c1cc(OC)cc(OC)c1

Molecular Weight¹

196.20

CAS

2150-37-0

Other Names

• 3,5-Dihydroxybenzoic acid, dimethyl ether, methyl ester
• 3,5-Dimethoxy methyl ester benzoic acid
• 3,5-Dimethoxybenzoic acid methyl ester
• Methyl 3,5-dimethoxybenzoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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	0.6539		Relay (1.0) Calculated Property
ΔfH°gas	-573.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.66	kJ/mol	Joback Calculated Property
ΔvapH°	79.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.28	eV	Relay (1.0) Calculated Property
log10WS	-3.09		Relay (1.0) Calculated Property
logPoct/wat	1.490		Crippen Calculated Property
McVol	147.180	ml/mol	McGowan Calculated Property
Pc	2752.67	kPa	Joback Calculated Property
Inp	[1510.00; 1591.10]
Inp	1541.00		NIST
Inp	1510.00		NIST
Inp	1591.10		NIST
Tboil	571.20	K	NIST
Tc	749.63	K	Relay (1.0) Calculated Property
Tfus	325.84	K	Relay (1.0) Calculated Property
Vc	0.555	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[343.66; 411.37]	J/mol×K	[568.10; 775.96]
Cp,gas	343.66	J/mol×K	568.10	Joback Calculated Property
Cp,gas	356.52	J/mol×K	602.74	Joback Calculated Property
Cp,gas	368.78	J/mol×K	637.39	Joback Calculated Property
Cp,gas	380.42	J/mol×K	672.03	Joback Calculated Property
Cp,gas	391.41	J/mol×K	706.67	Joback Calculated Property
Cp,gas	401.73	J/mol×K	741.32	Joback Calculated Property
Cp,gas	411.37	J/mol×K	775.96	Joback Calculated Property
η	[0.0001247; 0.0010538]	Pa×s	[340.71; 568.10]
η	0.0010538	Pa×s	340.71	Joback Calculated Property
η	0.0006179	Pa×s	378.61	Joback Calculated Property
η	0.0003993	Pa×s	416.51	Joback Calculated Property
η	0.0002775	Pa×s	454.41	Joback Calculated Property
η	0.0002040	Pa×s	492.30	Joback Calculated Property
η	0.0001567	Pa×s	530.20	Joback Calculated Property
η	0.0001247	Pa×s	568.10	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Benzoic acid, 3,5-dimethoxy-, methyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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