Chemical Properties of 2,2-Dimethylvaleric acid (CAS 1185-39-3)

InChI

InChI=1S/C7H14O2/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3,(H,8,9)

InChI Key

ZRYCZAWRXHAAPZ-UHFFFAOYSA-N

Formula

C7H14O2

SMILES

CCCC(C)(C)C(=O)O

Molecular Weight¹

130.19

CAS

1185-39-3

Other Names

• 2,2-Dimethylpentanoic acid
• Pentanoic acid, 2,2-dimethyl-
• Valeric acid, 2,2-dimethyl-
• «alpha»,«alpha»-Dimethylvaleric 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).
• 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

Property	Value	Unit	Source
ω	0.6089		Relay (1.0) Calculated Property
ΔfG°	-333.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-553.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.62	kJ/mol	Joback Calculated Property
ΔvapH°	64.88	kJ/mol	Relay (1.0) Calculated Property
IE	10.13	eV	Relay (1.0) Calculated Property
log10WS	-1.25		Relay (1.0) Calculated Property
logPoct/wat	1.897		Crippen Calculated Property
McVol	116.930	ml/mol	McGowan Calculated Property
Pc	3149.09	kPa	Joback Calculated Property
Tboil	[420.60; 470.00]	K
Tboil	470.00	K	NIST
Tboil	420.60 ± 2.00	K	NIST
Tboil	423.70 ± 2.00	K	NIST
Tc	655.91	K	Relay (1.0) Calculated Property
Tfus	258.37	K	Relay (1.0) Calculated Property
Vc	0.429	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.14; 392.71]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.33480e+01
Coefficient B			8.45460e-01
Coefficient C			-6.01400e-04
Coefficient D			1.72000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.14	J/mol×K	273.00	Calculated Property
Cp,gas	208.10	J/mol×K	353.78	Calculated Property
Cp,gas	244.60	J/mol×K	434.56	Calculated Property
Cp,gas	276.17	J/mol×K	515.33	Calculated Property
Cp,gas	303.37	J/mol×K	596.11	Calculated Property
Cp,gas	326.73	J/mol×K	676.89	Calculated Property
Cp,gas	346.80	J/mol×K	757.67	Calculated Property
Cp,gas	364.13	J/mol×K	838.44	Calculated Property
Cp,gas	379.25	J/mol×K	919.22	Calculated Property
Cp,gas	392.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020455; 0.0002964]	Pa×s	[331.67; 490.43]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.21590e+01
Coefficient B			1.97904e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			331.67
Temperature range, max.			490.43
η	0.0020455	Pa×s	331.67	Calculated Property
η	0.0015133	Pa×s	349.31	Calculated Property
η	0.0011525	Pa×s	366.95	Calculated Property
η	0.0008999	Pa×s	384.59	Calculated Property
η	0.0007181	Pa×s	402.23	Calculated Property
η	0.0005840	Pa×s	419.87	Calculated Property
η	0.0004829	Pa×s	437.51	Calculated Property
η	0.0004053	Pa×s	455.15	Calculated Property
η	0.0003446	Pa×s	472.79	Calculated Property
η	0.0002964	Pa×s	490.43	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[362.52; 495.09]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.62687e+01
Coefficient B			-4.62077e+03
Coefficient C			-7.33810e+01
Temperature range, min.			362.52
Temperature range, max.			495.09
Pvap	1.33	kPa	362.52	Calculated Property
Pvap	2.89	kPa	377.25	Calculated Property
Pvap	5.84	kPa	391.98	Calculated Property
Pvap	11.09	kPa	406.71	Calculated Property
Pvap	19.94	kPa	421.44	Calculated Property
Pvap	34.19	kPa	436.17	Calculated Property
Pvap	56.20	kPa	450.90	Calculated Property
Pvap	88.99	kPa	465.63	Calculated Property
Pvap	136.31	kPa	480.36	Calculated Property
Pvap	202.65	kPa	495.09	Calculated Property

Similar Compounds

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

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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