Chemical Properties of Pentanoic acid, 2-hydroxy-4-methyl-, ethyl ester

InChI

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

InChI Key

QRHOWVDPHIXNEN-UHFFFAOYSA-N

Formula

C8H16O3

SMILES

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

Molecular Weight¹

160.21

Other Names

• Ethyl 2-hydroxy-4-methylpentanoate
• ethyl 2-hydroxy-4-methylvalerate

• 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	0.6482		Relay (1.0) Calculated Property
ΔfG°	-435.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-717.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.89	kJ/mol	Joback Calculated Property
ΔvapH°	65.24	kJ/mol	Relay (1.0) Calculated Property
IE	9.95	eV	Relay (1.0) Calculated Property
log10WS	-0.61		Relay (1.0) Calculated Property
logPoct/wat	0.956		Crippen Calculated Property
McVol	136.890	ml/mol	McGowan Calculated Property
Pc	2850.52	kPa	Joback Calculated Property
Inp	[1043.00; 1078.00]
Inp	1060.00		NIST
Inp	1078.00		NIST
Inp	1060.00		NIST
Inp	1060.00		NIST
Inp	1060.00		NIST
Inp	1078.00		NIST
Inp	1043.00		NIST
Inp	1060.00		NIST
Inp	1078.00		NIST
I	[1515.00; 1562.00]
I	1547.00		NIST
I	Outlier 1515.00		NIST
I	1545.00		NIST
I	1562.00		NIST
I	1538.00		NIST
I	1547.00		NIST
I	1547.00		NIST
I	1547.00		NIST
I	1547.00		NIST
Tboil	456.40	K	Relay (1.0) Calculated Property
Tc	647.89	K	Relay (1.0) Calculated Property
Tfus	264.96	K	Relay (1.0) Calculated Property
Vc	0.507	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[329.90; 391.67]	J/mol×K	[532.16; 704.29]
Cp,gas	329.90	J/mol×K	532.16	Joback Calculated Property
Cp,gas	341.39	J/mol×K	560.85	Joback Calculated Property
Cp,gas	352.39	J/mol×K	589.54	Joback Calculated Property
Cp,gas	362.91	J/mol×K	618.22	Joback Calculated Property
Cp,gas	372.97	J/mol×K	646.91	Joback Calculated Property
Cp,gas	382.55	J/mol×K	675.60	Joback Calculated Property
Cp,gas	391.67	J/mol×K	704.29	Joback Calculated Property
η	[0.0000986; 0.0827067]	Pa×s	[253.07; 532.16]
η	0.0827067	Pa×s	253.07	Joback Calculated Property
η	0.0112702	Pa×s	299.58	Joback Calculated Property
η	0.0026242	Pa×s	346.10	Joback Calculated Property
η	0.0008630	Pa×s	392.61	Joback Calculated Property
η	0.0003592	Pa×s	439.13	Joback Calculated Property
η	0.0001769	Pa×s	485.64	Joback Calculated Property
η	0.0000986	Pa×s	532.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentanoic acid, 2-hydroxy-4-methyl-, ethyl ester.

Sources

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

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