Chemical Properties of Butanoic acid, 3-hydroxy-2,2-dimethyl-, ethyl ester (CAS 7505-94-4)

InChI

InChI=1S/C8H16O3/c1-5-11-7(10)8(3,4)6(2)9/h6,9H,5H2,1-4H3

InChI Key

DPZVLAWBYJYWFX-UHFFFAOYSA-N

Formula

C8H16O3

SMILES

CCOC(=O)C(C)(C)C(C)O

Molecular Weight¹

160.21

CAS

7505-94-4

Other Names

• Ethyl 3-hydroxy-2,2-dimethylbutanoate

• 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).
• I : Polar retention indices.
• 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°	-353.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-619.51	kJ/mol	Joback Calculated Property
ΔfusH°	12.41	kJ/mol	Joback Calculated Property
ΔvapH°	57.55	kJ/mol	Joback Calculated Property
log10WS	-1.17		Crippen Calculated Property
logPoct/wat	0.956		Crippen Calculated Property
McVol	136.890	ml/mol	McGowan Calculated Property
Pc	3015.64	kPa	Joback Calculated Property
I	[1699.00; 1699.00]
I	1699.00		NIST
I	1699.00		NIST
Tboil	547.24	K	Joback Calculated Property
Tc	728.02	K	Joback Calculated Property
Tfus	300.32	K	Joback Calculated Property
Vc	0.509	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[337.14; 398.91]	J/mol×K	[547.24; 728.02]
Cp,gas	337.14	J/mol×K	547.24	Joback Calculated Property
Cp,gas	348.80	J/mol×K	577.37	Joback Calculated Property
Cp,gas	359.89	J/mol×K	607.50	Joback Calculated Property
Cp,gas	370.42	J/mol×K	637.63	Joback Calculated Property
Cp,gas	380.43	J/mol×K	667.76	Joback Calculated Property
Cp,gas	389.92	J/mol×K	697.89	Joback Calculated Property
Cp,gas	398.91	J/mol×K	728.02	Joback Calculated Property
η	[0.0000979; 0.0169327]	Pa×s	[300.32; 547.24]
η	0.0169327	Pa×s	300.32	Joback Calculated Property
η	0.0042752	Pa×s	341.47	Joback Calculated Property
η	0.0014513	Pa×s	382.63	Joback Calculated Property
η	0.0006077	Pa×s	423.78	Joback Calculated Property
η	0.0002969	Pa×s	464.93	Joback Calculated Property
η	0.0001629	Pa×s	506.09	Joback Calculated Property
η	0.0000979	Pa×s	547.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 3-hydroxy-2,2-dimethyl-, ethyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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