Chemical Properties of Propanedioic acid, methyl-, dimethyl ester (CAS 609-02-9)

InChI

InChI=1S/C6H10O4/c1-4(5(7)9-2)6(8)10-3/h4H,1-3H3

InChI Key

LRBPFPZTIZSOGG-UHFFFAOYSA-N

Formula

C6H10O4

SMILES

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

Molecular Weight¹

146.14

CAS

609-02-9

Other Names

• Malonic acid, methyl-, dimethyl ester
• Dimethyl methylmalonate
• Propanedioic acid, 2-methyl-, dimethyl ester
• Maleic acid, dimethyl ester

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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
ΔcH°liquid	-2963.90 ± 0.54	kJ/mol	NIST
ΔfG°	-470.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-768.56 ± 0.88	kJ/mol	NIST
ΔfH°liquid	-826.34 ± 0.54	kJ/mol	NIST
ΔfusH°	13.35	kJ/mol	Joback Calculated Property
ΔvapH°	[57.78; 57.80]	kJ/mol
ΔvapH°	57.78 ± 0.71	kJ/mol	NIST
ΔvapH°	57.80	kJ/mol	NIST
log10WS	0.18		Crippen Calculated Property
logPoct/wat	-0.032		Crippen Calculated Property
McVol	110.280	ml/mol	McGowan Calculated Property
Pc	3484.76	kPa	Joback Calculated Property
Inp	[960.70; 960.70]
Inp	960.70		NIST
Inp	960.70		NIST
Tboil	449.70	K	NIST
Tc	680.73	K	Joback Calculated Property
Tfus	286.70	K	Joback Calculated Property
Vc	0.413	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[236.68; 289.02]	J/mol×K	[488.82; 680.73]
Cp,gas	236.68	J/mol×K	488.82	Joback Calculated Property
Cp,gas	246.23	J/mol×K	520.80	Joback Calculated Property
Cp,gas	255.46	J/mol×K	552.79	Joback Calculated Property
Cp,gas	264.37	J/mol×K	584.77	Joback Calculated Property
Cp,gas	272.95	J/mol×K	616.76	Joback Calculated Property
Cp,gas	281.17	J/mol×K	648.74	Joback Calculated Property
Cp,gas	289.02	J/mol×K	680.73	Joback Calculated Property
Cp,liquid	261.70	J/mol×K	298.15	NIST
η	[0.0002524; 0.0027257]	Pa×s	[286.70; 488.82]
η	0.0027257	Pa×s	286.70	Joback Calculated Property
η	0.0014884	Pa×s	320.39	Joback Calculated Property
η	0.0009119	Pa×s	354.07	Joback Calculated Property
η	0.0006083	Pa×s	387.76	Joback Calculated Property
η	0.0004330	Pa×s	421.45	Joback Calculated Property
η	0.0003241	Pa×s	455.13	Joback Calculated Property
η	0.0002524	Pa×s	488.82	Joback Calculated Property
ΔvapH	57.80 ± 0.80	kJ/mol	293.00	NIST

Similar Compounds

Find more compounds similar to Propanedioic acid, methyl-, dimethyl ester.

Sources

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

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