Chemical Properties of 2,2-Dimethylglutaric acid (CAS 681-57-2)

InChI

InChI=1S/C7H12O4/c1-7(2,6(10)11)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)(H,10,11)

InChI Key

BTUDGPVTCYNYLK-UHFFFAOYSA-N

Formula

C7H12O4

SMILES

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

Molecular Weight¹

160.17

CAS

681-57-2

Other Names

• Pentanedioic acid, 2,2-dimethyl-
• «alpha»,«alpha»-Dimethylglutaric acid
• «alpha»,«alpha»-Dimethylglutaric acid

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[327.90; 369.43]	J/mol×K	[648.43; 828.81]
Cp,gas	327.90	J/mol×K	648.43	Joback Calculated Property
Cp,gas	335.90	J/mol×K	678.49	Joback Calculated Property
Cp,gas	343.44	J/mol×K	708.56	Joback Calculated Property
Cp,gas	350.53	J/mol×K	738.62	Joback Calculated Property
Cp,gas	357.22	J/mol×K	768.69	Joback Calculated Property
Cp,gas	363.51	J/mol×K	798.75	Joback Calculated Property
Cp,gas	369.43	J/mol×K	828.81	Joback Calculated Property
η	[0.0000265; 0.0046479]	Pa×s	[392.57; 648.43]
η	0.0046479	Pa×s	392.57	Joback Calculated Property
η	0.0012880	Pa×s	435.21	Joback Calculated Property
η	0.0004488	Pa×s	477.86	Joback Calculated Property
η	0.0001859	Pa×s	520.50	Joback Calculated Property
η	0.0000880	Pa×s	563.14	Joback Calculated Property
η	0.0000463	Pa×s	605.79	Joback Calculated Property
η	0.0000265	Pa×s	648.43	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[476.60; 630.41]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.73235e+01
Coefficient B			-6.26489e+03
Coefficient C			-1.08853e+02
Temperature range, min.			476.60
Temperature range, max.			630.41
Pvap	1.33	kPa	476.60	Calculated Property
Pvap	2.84	kPa	493.69	Calculated Property
Pvap	5.68	kPa	510.78	Calculated Property
Pvap	10.72	kPa	527.87	Calculated Property
Pvap	19.26	kPa	544.96	Calculated Property
Pvap	33.11	kPa	562.05	Calculated Property
Pvap	54.71	kPa	579.14	Calculated Property
Pvap	87.29	kPa	596.23	Calculated Property
Pvap	134.92	kPa	613.32	Calculated Property
Pvap	202.67	kPa	630.41	Calculated Property

Similar Compounds

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

Sources

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

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