Chemical Properties of Butanoic acid, 2,2-dimethyl- (CAS 595-37-9)

InChI

InChI=1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)

InChI Key

VUAXHMVRKOTJKP-UHFFFAOYSA-N

Formula

C6H12O2

SMILES

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

Molecular Weight¹

116.16

CAS

595-37-9

Other Names

• 2,2-Dimethylbutanoic acid
• 2,2-Dimethylbutyric acid
• Butyric acid, 2,2-dimethyl-
• «alpha»,«alpha»-Dimethylbutanoic acid
• «alpha»,«alpha»-Dimethylbutyric acid
• «alpha»,«alpha»-Dimethylbutanoic acid
• «alpha»,«alpha»-Dimethylbutyric acid

• ω : Acentric Factor.
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_boilr : Boiling point at reduced pressure (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	[226.86; 278.06]	J/mol×K	[479.50; 661.11]
Cp,gas	226.86	J/mol×K	479.50	Joback Calculated Property
Cp,gas	236.61	J/mol×K	509.77	Joback Calculated Property
Cp,gas	245.85	J/mol×K	540.04	Joback Calculated Property
Cp,gas	254.59	J/mol×K	570.30	Joback Calculated Property
Cp,gas	262.86	J/mol×K	600.57	Joback Calculated Property
Cp,gas	270.68	J/mol×K	630.84	Joback Calculated Property
Cp,gas	278.06	J/mol×K	661.11	Joback Calculated Property
η	[0.0002084; 0.0298236]	Pa×s	[270.55; 479.50]
η	0.0298236	Pa×s	270.55	Joback Calculated Property
η	0.0081361	Pa×s	305.38	Joback Calculated Property
η	0.0028958	Pa×s	340.20	Joback Calculated Property
η	0.0012487	Pa×s	375.02	Joback Calculated Property
η	0.0006212	Pa×s	409.85	Joback Calculated Property
η	0.0003447	Pa×s	444.67	Joback Calculated Property
η	0.0002084	Pa×s	479.50	Joback Calculated Property
ΔvapH	[46.00; 59.40]	kJ/mol	[431.00; 431.00]
ΔvapH	59.40 ± 0.30	kJ/mol	431.00	NIST
ΔvapH	54.60 ± 0.30	kJ/mol	431.00	NIST
ΔvapH	50.00 ± 0.40	kJ/mol	431.00	NIST
ΔvapH	46.00 ± 0.70	kJ/mol	431.00	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[349.84; 473.06]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.67696e+01
Coefficient B			-4.63214e+03
Coefficient C			-6.87940e+01
Temperature range, min.			349.84
Temperature range, max.			473.06
Pvap	1.33	kPa	349.84	Calculated Property
Pvap	2.87	kPa	363.53	Calculated Property
Pvap	5.76	kPa	377.22	Calculated Property
Pvap	10.91	kPa	390.91	Calculated Property
Pvap	19.60	kPa	404.60	Calculated Property
Pvap	33.65	kPa	418.30	Calculated Property
Pvap	55.46	kPa	431.99	Calculated Property
Pvap	88.14	kPa	445.68	Calculated Property
Pvap	135.61	kPa	459.37	Calculated Property
Pvap	202.65	kPa	473.06	Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 2,2-dimethyl-.

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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