Chemical Properties of Butanoic acid, 3,3-dimethyl- (CAS 1070-83-3)

InChI

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

InChI Key

MLMQPDHYNJCQAO-UHFFFAOYSA-N

Formula

C6H12O2

SMILES

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

Molecular Weight¹

116.16

CAS

1070-83-3

Other Names

• (CH3)3CCH2COOH
• 3,3-Dimethyl-n-butyric acid
• 3,3-Dimethylbutanoic acid
• 3,3-Dimethylbutyric acid
• Butyric acid, 3,3-dimethyl-
• t-Butylacetic acid
• tert-Butylacetic 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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
ΔfG°	-263.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-440.73	kJ/mol	Joback Calculated Property
ΔfusH°	9.57	kJ/mol	Joback Calculated Property
ΔvapH°	64.00 ± 0.90	kJ/mol	NIST
log10WS	-1.19		Crippen Calculated Property
logPoct/wat	1.507		Crippen Calculated Property
McVol	102.840	ml/mol	McGowan Calculated Property
Pc	3810.39	kPa	Joback Calculated Property
Tboil	[460.70; 463.20]	K
Tboil	460.70	K	NIST
Tboil	463.20	K	NIST
Tc	661.11	K	Joback Calculated Property
Tfus	280.00 ± 2.00	K	NIST
Vc	0.386	m3/kmol	Joback Calculated Property

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	63.60 ± 0.90	kJ/mol	304.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[351.23; 486.66]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.57473e+01
Coefficient B			-4.34913e+03
Coefficient C			-6.99060e+01
Temperature range, min.			351.23
Temperature range, max.			486.66
Pvap	1.33	kPa	351.23	Calculated Property
Pvap	2.92	kPa	366.28	Calculated Property
Pvap	5.94	kPa	381.33	Calculated Property
Pvap	11.31	kPa	396.37	Calculated Property
Pvap	20.34	kPa	411.42	Calculated Property
Pvap	34.81	kPa	426.47	Calculated Property
Pvap	57.04	kPa	441.52	Calculated Property
Pvap	89.95	kPa	456.56	Calculated Property
Pvap	137.09	kPa	471.61	Calculated Property
Pvap	202.66	kPa	486.66	Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 3,3-dimethyl-.

Sources

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

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