Chemical Properties of Butanedioic acid, methoxy-, dimethyl ester

InChI

InChI=1S/C7H12O5/c1-10-5(7(9)12-3)4-6(8)11-2/h5H,4H2,1-3H3

InChI Key

CZGCYHISZCRQFR-UHFFFAOYSA-N

Formula

C7H12O5

SMILES

COC(=O)CC(OC)C(=O)OC

Molecular Weight¹

176.17

Other Names

• Succinic acid, methoxy-, dimethyl ester
• Dimethyl methoxybutane-1,4-dioate
• DL-Malic acid, methyl ether, dimethyl ester
• 2-Methoxy-succinic acid dimethyl ester

• 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_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	0.5466		Relay (1.0) Calculated Property
ΔfH°gas	-918.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.29	kJ/mol	Joback Calculated Property
ΔvapH°	64.40	kJ/mol	Relay (1.0) Calculated Property
IE	9.73	eV	Relay (1.0) Calculated Property
log10WS	0.16		Relay (1.0) Calculated Property
logPoct/wat	-0.262		Crippen Calculated Property
McVol	130.240	ml/mol	McGowan Calculated Property
Pc	2802.44	kPa	Joback Calculated Property
Inp	[1113.00; 1146.10]
Inp	1146.10		NIST
Inp	1113.00		NIST
Inp	1113.00		NIST
Inp	1113.00		NIST
Tboil	468.85	K	Relay (1.0) Calculated Property
Tc	658.30	K	Relay (1.0) Calculated Property
Tfus	267.19	K	Relay (1.0) Calculated Property
Vc	0.484	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[201.74; 415.72]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			7.11610e+01
Coefficient B			5.01960e-01
Coefficient C			-6.00000e-05
Coefficient D			-9.74000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	201.74	J/mol×K	273.00	Calculated Property
Cp,gas	236.92	J/mol×K	353.78	Calculated Property
Cp,gas	269.97	J/mol×K	434.56	Calculated Property
Cp,gas	300.57	J/mol×K	515.33	Calculated Property
Cp,gas	328.43	J/mol×K	596.11	Calculated Property
Cp,gas	353.23	J/mol×K	676.89	Calculated Property
Cp,gas	374.67	J/mol×K	757.67	Calculated Property
Cp,gas	392.44	J/mol×K	838.44	Calculated Property
Cp,gas	406.22	J/mol×K	919.22	Calculated Property
Cp,gas	415.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0055675; 0.0002009]	Pa×s	[260.54; 476.66]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.25176e+01
Coefficient B			1.90891e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			260.54
Temperature range, max.			476.66
η	0.0055675	Pa×s	260.54	Calculated Property
η	0.0030001	Pa×s	284.55	Calculated Property
η	0.0017799	Pa×s	308.57	Calculated Property
η	0.0011387	Pa×s	332.58	Calculated Property
η	0.0007737	Pa×s	356.59	Calculated Property
η	0.0005519	Pa×s	380.61	Calculated Property
η	0.0004098	Pa×s	404.62	Calculated Property
η	0.0003146	Pa×s	428.63	Calculated Property
η	0.0002484	Pa×s	452.65	Calculated Property
η	0.0002009	Pa×s	476.66	Calculated Property

Similar Compounds

Find more compounds similar to Butanedioic acid, methoxy-, dimethyl ester.

Sources

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

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