Chemical Properties of Butanoic acid, 2-hydroxy-3-methyl-, ethyl ester (CAS 2441-06-7)

InChI

InChI=1S/C7H14O3/c1-4-10-7(9)6(8)5(2)3/h5-6,8H,4H2,1-3H3

InChI Key

IZRVEUZYBVGCFC-UHFFFAOYSA-N

Formula

C7H14O3

SMILES

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

Molecular Weight¹

146.18

CAS

2441-06-7

Other Names

• Butyric acid, 2-hydroxy-3-methyl-, ethyl ester
• Ethyl 2-hydroxyisovalerate
• Ethyl 2-hydroxy-3-methylbutanoate
• Ethyl 2-hydroxy-3-methylbutyrate

• 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).
• 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
ω	0.6251		Relay (1.0) Calculated Property
ΔfG°	-444.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-694.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.30	kJ/mol	Joback Calculated Property
ΔvapH°	63.96	kJ/mol	Relay (1.0) Calculated Property
IE	10.07	eV	Relay (1.0) Calculated Property
log10WS	-0.27		Relay (1.0) Calculated Property
logPoct/wat	0.566		Crippen Calculated Property
McVol	122.800	ml/mol	McGowan Calculated Property
Pc	3166.83	kPa	Joback Calculated Property
Inp	[968.00; 987.00]
Inp	987.00		NIST
Inp	975.00		NIST
Inp	975.00		NIST
Inp	968.00		NIST
Inp	970.00		NIST
Inp	987.00		NIST
Inp	975.00		NIST
Inp	987.00		NIST
I	[1397.00; 1445.00]
I	1422.00		NIST
I	1427.30		NIST
I	1421.00		NIST
I	1430.00		NIST
I	1411.00		NIST
I	1426.00		NIST
I	1397.00		NIST
I	1399.00		NIST
I	1425.00		NIST
I	1397.00		NIST
I	1399.00		NIST
I	1403.00		NIST
I	1422.00		NIST
I	1420.00		NIST
I	1426.00		NIST
I	1445.00		NIST
I	1399.00		NIST
I	1445.00		NIST
I	1422.00		NIST
Tboil	433.03	K	Relay (1.0) Calculated Property
Tc	640.79	K	Relay (1.0) Calculated Property
Tfus	283.78	K	Relay (1.0) Calculated Property
Vc	0.455	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[285.46; 342.49]	J/mol×K	[509.28; 682.78]
Cp,gas	285.46	J/mol×K	509.28	Joback Calculated Property
Cp,gas	296.04	J/mol×K	538.20	Joback Calculated Property
Cp,gas	306.19	J/mol×K	567.11	Joback Calculated Property
Cp,gas	315.91	J/mol×K	596.03	Joback Calculated Property
Cp,gas	325.19	J/mol×K	624.95	Joback Calculated Property
Cp,gas	334.05	J/mol×K	653.86	Joback Calculated Property
Cp,gas	342.49	J/mol×K	682.78	Joback Calculated Property
η	[0.0001200; 0.1134750]	Pa×s	[241.80; 509.28]
η	0.1134750	Pa×s	241.80	Joback Calculated Property
η	0.0148910	Pa×s	286.38	Joback Calculated Property
η	0.0033771	Pa×s	330.96	Joback Calculated Property
η	0.0010893	Pa×s	375.54	Joback Calculated Property
η	0.0004467	Pa×s	420.12	Joback Calculated Property
η	0.0002174	Pa×s	464.70	Joback Calculated Property
η	0.0001200	Pa×s	509.28	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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