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-Dimethylsuccinic acid
• 2,2-dimethyl-1,4-butanedioic 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_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_vapH° : Enthalpy of vaporization at standard conditions (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).
• 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
ΔcH°solid	-2802.40 ± 1.40	kJ/mol	NIST
ΔfG°	-529.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-705.54	kJ/mol	Joback Calculated Property
ΔfusH°	38.11	kJ/mol	Solid L...
ΔvapH°	74.50	kJ/mol	Joback Calculated Property
log10WS	-0.29		Crippen Calculated Property
logPoct/wat	0.572		Crippen Calculated Property
McVol	110.280	ml/mol	McGowan Calculated Property
Pc	4659.34	kPa	Joback Calculated Property
Tboil	625.55	K	Joback Calculated Property
Tc	807.18	K	Joback 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
Vc	0.410	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[281.34; 318.62]	J/mol×K	[625.55; 807.18]
Cp,gas	281.34	J/mol×K	625.55	Joback Calculated Property
Cp,gas	288.56	J/mol×K	655.82	Joback Calculated Property
Cp,gas	295.34	J/mol×K	686.09	Joback Calculated Property
Cp,gas	301.72	J/mol×K	716.36	Joback Calculated Property
Cp,gas	307.71	J/mol×K	746.63	Joback Calculated Property
Cp,gas	313.33	J/mol×K	776.90	Joback Calculated Property
Cp,gas	318.62	J/mol×K	807.18	Joback Calculated Property
η	[0.0000339; 0.0059533]	Pa×s	[381.30; 625.55]
η	0.0059533	Pa×s	381.30	Joback Calculated Property
η	0.0016603	Pa×s	422.01	Joback Calculated Property
η	0.0005797	Pa×s	462.72	Joback Calculated Property
η	0.0002399	Pa×s	503.42	Joback Calculated Property
η	0.0001133	Pa×s	544.13	Joback Calculated Property
η	0.0000594	Pa×s	584.84	Joback Calculated Property
η	0.0000339	Pa×s	625.55	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[476.40; 608.05]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• 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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