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

• 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_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

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[333.30; 380.63]	J/mol×K	[647.55; 859.39]
Cp,gas	333.30	J/mol×K	647.55	Joback Calculated Property
Cp,gas	342.66	J/mol×K	682.86	Joback Calculated Property
Cp,gas	351.36	J/mol×K	718.16	Joback Calculated Property
Cp,gas	359.45	J/mol×K	753.47	Joback Calculated Property
Cp,gas	366.99	J/mol×K	788.77	Joback Calculated Property
Cp,gas	374.03	J/mol×K	824.08	Joback Calculated Property
Cp,gas	380.63	J/mol×K	859.39	Joback Calculated Property
η	[0.0001903; 0.0007256]	Pa×s	[492.27; 647.55]
η	0.0007256	Pa×s	492.27	Joback Calculated Property
η	0.0005490	Pa×s	518.15	Joback Calculated Property
η	0.0004266	Pa×s	544.03	Joback Calculated Property
η	0.0003392	Pa×s	569.91	Joback Calculated Property
η	0.0002751	Pa×s	595.79	Joback Calculated Property
η	0.0002270	Pa×s	621.67	Joback Calculated Property
η	0.0001903	Pa×s	647.55	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[476.60; 630.41]	The Yaws Handbook of Vapor Pressure
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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.