Chemical Properties of 2,2-Dimethylbutanedioic acid (CAS 597-43-3)

InChI

InChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)

InChI Key

GOHPTLYPQCTZSE-UHFFFAOYSA-N

Formula

C6H10O4

SMILES

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

Molecular Weight¹

146.14

CAS

597-43-3

Other Names

• 1,4-butanedioic acid, 2,2-dimethyl-
• 2,2-dimethyl-1,4-butanedioic acid
• 2,2-dimethylsuccinic acid
• Butanedioic acid, 2,2-dimethyl-
• succinic acid, 2,2-dimethyl-

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-2802.40 ± 1.40	kJ/mol	NIST
ΔfusH°	38.11	kJ/mol	Solid Liquid Equilibria for Six Binary Mixtures of Pentanedioic Acid, Octanedioic Acid, 3-Methylheptanedioic Acid, 2,2-Dimethylbutanedioic Acid, and 2,3-Dimethylbutanedioic Acid
ΔvapH°	94.08	kJ/mol	Relay (1.0) Calculated Property
IE	10.27	eV	Relay (1.0) Calculated Property
log10WS	-0.16		Relay (1.0) Calculated Property
logPoct/wat	0.572		Crippen Calculated Property
McVol	110.280	ml/mol	McGowan Calculated Property
Tboil	483.71	K	Relay (1.0) Calculated Property
Tfus	[408.00; 414.15]	K
Tfus	408.00 ± 5.00	K	NIST
Tfus	410.15 ± 2.00	K	NIST
Tfus	412.15 ± 1.50	K	NIST
Tfus	414.15 ± 1.50	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[158.55; 351.90]	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			-1.78390e+01
Coefficient B			8.01240e-01
Coefficient C			-6.19600e-04
Coefficient D			1.88100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	158.55	J/mol×K	273.00	Calculated Property
Cp,gas	196.40	J/mol×K	353.78	Calculated Property
Cp,gas	228.78	J/mol×K	434.56	Calculated Property
Cp,gas	256.26	J/mol×K	515.33	Calculated Property
Cp,gas	279.46	J/mol×K	596.11	Calculated Property
Cp,gas	298.96	J/mol×K	676.89	Calculated Property
Cp,gas	315.36	J/mol×K	757.67	Calculated Property
Cp,gas	329.25	J/mol×K	838.44	Calculated Property
Cp,gas	341.24	J/mol×K	919.22	Calculated Property
Cp,gas	351.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019339; 0.0002773]	Pa×s	[411.11; 588.01]	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			-1.27034e+01
Coefficient B			2.65382e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			411.11
Temperature range, max.			588.01
η	0.0019339	Pa×s	411.11	Calculated Property
η	0.0014405	Pa×s	430.77	Calculated Property
η	0.0011009	Pa×s	450.42	Calculated Property
η	0.0008605	Pa×s	470.08	Calculated Property
η	0.0006861	Pa×s	489.74	Calculated Property
η	0.0005566	Pa×s	509.39	Calculated Property
η	0.0004587	Pa×s	529.05	Calculated Property
η	0.0003832	Pa×s	548.70	Calculated Property
η	0.0003242	Pa×s	568.36	Calculated Property
η	0.0002773	Pa×s	588.01	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[476.40; 608.05]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.93402e+01
Coefficient B			-7.00404e+03
Coefficient C			-1.08784e+02
Temperature range, min.			476.40
Temperature range, max.			608.05
Pvap	1.33	kPa	476.40	Calculated Property
Pvap	2.76	kPa	491.03	Calculated Property
Pvap	5.43	kPa	505.66	Calculated Property
Pvap	10.17	kPa	520.28	Calculated Property
Pvap	18.24	kPa	534.91	Calculated Property
Pvap	31.48	kPa	549.54	Calculated Property
Pvap	52.44	kPa	564.17	Calculated Property
Pvap	84.63	kPa	578.79	Calculated Property
Pvap	132.70	kPa	593.42	Calculated Property
Pvap	202.66	kPa	608.05	Calculated Property

Similar Compounds

Find more compounds similar to 2,2-Dimethylbutanedioic acid.

Mixtures

• Pentanedioic acid + 2,2-Dimethylbutanedioic acid
• Octanedioic acid + 2,2-Dimethylbutanedioic acid

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Solid Liquid Equilibria for Six Binary Mixtures of Pentanedioic Acid, Octanedioic Acid, 3-Methylheptanedioic Acid, 2,2-Dimethylbutanedioic Acid, and 2,3-Dimethylbutanedioic Acid
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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