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-

• 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_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
ω	0.7206		Relay (1.0) Calculated Property
ΔfH°gas	-827.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.88	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°	56.91	kJ/mol	Relay (1.0) Calculated Property
IE	10.80	eV	NIST
log10WS	-2.09e-03		Relay (1.0) Calculated Property
logPoct/wat	-0.208		Crippen Calculated Property
McVol	82.100	ml/mol	McGowan Calculated Property
Pc	4987.39	kPa	Joback Calculated Property
Tboil	483.36	K	Relay (1.0) Calculated Property
Tc	700.36	K	Relay (1.0) Calculated Property
Tfus	382.47	K	Relay (1.0) Calculated Property
Vc	0.307	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	[117.27; 247.79]	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			6.77000e+00
Coefficient B			4.91320e-01
Coefficient C			-3.42200e-04
Coefficient D			9.19000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	117.27	J/mol×K	273.00	Calculated Property
Cp,gas	141.83	J/mol×K	353.78	Calculated Property
Cp,gas	163.20	J/mol×K	434.56	Calculated Property
Cp,gas	181.66	J/mol×K	515.33	Calculated Property
Cp,gas	197.52	J/mol×K	596.11	Calculated Property
Cp,gas	211.05	J/mol×K	676.89	Calculated Property
Cp,gas	222.56	J/mol×K	757.67	Calculated Property
Cp,gas	232.32	J/mol×K	838.44	Calculated Property
Cp,gas	240.63	J/mol×K	919.22	Calculated Property
Cp,gas	247.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009229; 0.0003162]	Pa×s	[441.04; 557.42]	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			-1.21186e+01
Coefficient B			2.26278e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			441.04
Temperature range, max.			557.42
η	0.0009229	Pa×s	441.04	Calculated Property
η	0.0007974	Pa×s	453.97	Calculated Property
η	0.0006946	Pa×s	466.90	Calculated Property
η	0.0006095	Pa×s	479.83	Calculated Property
η	0.0005386	Pa×s	492.77	Calculated Property
η	0.0004789	Pa×s	505.70	Calculated Property
η	0.0004284	Pa×s	518.63	Calculated Property
η	0.0003852	Pa×s	531.56	Calculated Property
η	0.0003482	Pa×s	544.49	Calculated Property
η	0.0003162	Pa×s	557.42	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[466.80; 561.84]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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