Chemical Properties of Ethyl 3-hydroxy-3-methylbutanoate (CAS 18267-36-2)

InChI

InChI=1S/C7H14O3/c1-4-10-6(8)5-7(2,3)9/h9H,4-5H2,1-3H3

InChI Key

HKEDUIGHSRRIKD-UHFFFAOYSA-N

Formula

C7H14O3

SMILES

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

Molecular Weight¹

146.18

CAS

18267-36-2

Other Names

• (CH3)2C(OH)CH2C(O)OC2H5
• Butanoic acid, 3-hydroxy-3-methyl-, ethyl ester
• Ethyl 3-methyl 3-hydroxy-butanoate
• ethyl 3-hydroxy-3-methylbutyrate

• 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_np : Non-polar retention indices.
• 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°	-359.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-593.59	kJ/mol	Joback Calculated Property
ΔfusH°	13.35	kJ/mol	Joback Calculated Property
ΔvapH°	55.72	kJ/mol	Joback Calculated Property
log10WS	-0.99		Crippen Calculated Property
logPoct/wat	0.710		Crippen Calculated Property
McVol	122.800	ml/mol	McGowan Calculated Property
Pc	3329.68	kPa	Joback Calculated Property
Inp	[920.00; 955.00]
Inp	926.00		NIST
Inp	920.00		NIST
Inp	955.00		NIST
Inp	929.00		NIST
Inp	930.00		NIST
Inp	930.00		NIST
Inp	955.00		NIST
I	[1400.00; 1407.00]
I	1400.00		NIST
I	1407.00		NIST
I	1407.00		NIST
Tboil	524.80	K	Joback Calculated Property
Tc	703.84	K	Joback Calculated Property
Tfus	304.05	K	Joback Calculated Property
Vc	0.460	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[291.93; 347.85]	J/mol×K	[524.80; 703.84]
Cp,gas	291.93	J/mol×K	524.80	Joback Calculated Property
Cp,gas	302.45	J/mol×K	554.64	Joback Calculated Property
Cp,gas	312.47	J/mol×K	584.48	Joback Calculated Property
Cp,gas	322.01	J/mol×K	614.32	Joback Calculated Property
Cp,gas	331.07	J/mol×K	644.16	Joback Calculated Property
Cp,gas	339.68	J/mol×K	674.00	Joback Calculated Property
Cp,gas	347.85	J/mol×K	703.84	Joback Calculated Property
η	[0.0001267; 0.0121392]	Pa×s	[304.05; 524.80]
η	0.0121392	Pa×s	304.05	Joback Calculated Property
η	0.0037644	Pa×s	340.84	Joback Calculated Property
η	0.0014665	Pa×s	377.63	Joback Calculated Property
η	0.0006754	Pa×s	414.42	Joback Calculated Property
η	0.0003530	Pa×s	451.22	Joback Calculated Property
η	0.0002034	Pa×s	488.01	Joback Calculated Property
η	0.0001267	Pa×s	524.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 3-hydroxy-3-methylbutanoate.

Sources

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

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