Chemical Properties of Methylmalonic acid (CAS 516-05-2)

InChI

InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)

InChI Key

ZIYVHBGGAOATLY-UHFFFAOYSA-N

Formula

C4H6O4

SMILES

CC(C(=O)O)C(=O)O

Molecular Weight¹

118.09

CAS

516-05-2

Other Names

• 1,1-Ethanedicarboxylic acid
• 2-Methylmalonic acid
• Isosuccinic acid
• Malonic acid, methyl-
• Propanedioic acid, methyl-

• 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_subH° : Enthalpy of sublimation 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).
• P_vap : Vapor pressure (kPa).
• 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
ΔfG°	-551.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-660.79	kJ/mol	Joback Calculated Property
ΔfusH°	13.97	kJ/mol	Joback Calculated Property
ΔsubH°	[113.20; 117.40]	kJ/mol
ΔsubH°	117.40 ± 1.90	kJ/mol	NIST
ΔsubH°	113.20 ± 0.40	kJ/mol	NIST
ΔvapH°	70.96	kJ/mol	Joback Calculated Property
IE	10.80	eV	NIST
log10WS	0.55		Crippen Calculated Property
logPoct/wat	-0.208		Crippen Calculated Property
McVol	82.100	ml/mol	McGowan Calculated Property
Pc	6065.55	kPa	Joback Calculated Property
Tboil	582.58	K	Joback Calculated Property
Tc	761.63	K	Joback Calculated Property
Tfus	341.34	K	Joback Calculated Property
Vc	0.303	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[189.50; 217.51]	J/mol×K	[582.58; 761.63]
Cp,gas	189.50	J/mol×K	582.58	Joback Calculated Property
Cp,gas	194.82	J/mol×K	612.42	Joback Calculated Property
Cp,gas	199.88	J/mol×K	642.26	Joback Calculated Property
Cp,gas	204.67	J/mol×K	672.10	Joback Calculated Property
Cp,gas	209.20	J/mol×K	701.95	Joback Calculated Property
Cp,gas	213.48	J/mol×K	731.79	Joback Calculated Property
Cp,gas	217.51	J/mol×K	761.63	Joback Calculated Property
η	[0.0000564; 0.0160048]	Pa×s	[341.34; 582.58]
η	0.0160048	Pa×s	341.34	Joback Calculated Property
η	0.0038013	Pa×s	381.55	Joback Calculated Property
η	0.0011876	Pa×s	421.75	Joback Calculated Property
η	0.0004543	Pa×s	461.96	Joback Calculated Property
η	0.0002027	Pa×s	502.17	Joback Calculated Property
η	0.0001019	Pa×s	542.37	Joback Calculated Property
η	0.0000564	Pa×s	582.58	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[466.80; 561.84]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.44133e+01
Coefficient B			-8.71788e+03
Coefficient C			-1.05448e+02
Temperature range, min.			466.80
Temperature range, max.			561.84
Pvap	1.33	kPa	466.80	Calculated Property
Pvap	2.64	kPa	477.36	Calculated Property
Pvap	5.05	kPa	487.92	Calculated Property
Pvap	9.32	kPa	498.48	Calculated Property
Pvap	16.65	kPa	509.04	Calculated Property
Pvap	28.89	kPa	519.60	Calculated Property
Pvap	48.75	kPa	530.16	Calculated Property
Pvap	80.22	kPa	540.72	Calculated Property
Pvap	128.91	kPa	551.28	Calculated Property
Pvap	202.67	kPa	561.84	Calculated Property

Similar Compounds

Find more compounds similar to Methylmalonic acid.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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