Chemical Properties of Pentanoic acid, 2-hydroxy-4-methyl-, ethyl ester (CAS 10348-47-7)

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

CAS

10348-47-7

Other Names

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

• 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°	-359.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-616.04	kJ/mol	Joback Calculated Property
ΔfusH°	16.30	kJ/mol	Joback Calculated Property
ΔvapH°	58.46	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	2979.54	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	550.03	K	Joback Calculated Property
Tc	724.80	K	Joback Calculated Property
Tfus	282.90	K	Joback Calculated Property
Vc	0.514	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[334.04; 394.85]	J/mol×K	[550.03; 724.80]
Cp,gas	334.04	J/mol×K	550.03	Joback Calculated Property
Cp,gas	345.30	J/mol×K	579.16	Joback Calculated Property
Cp,gas	356.10	J/mol×K	608.29	Joback Calculated Property
Cp,gas	366.45	J/mol×K	637.42	Joback Calculated Property
Cp,gas	376.36	J/mol×K	666.54	Joback Calculated Property
Cp,gas	385.82	J/mol×K	695.67	Joback Calculated Property
Cp,gas	394.85	J/mol×K	724.80	Joback Calculated Property
η	[0.0000978; 0.0249265]	Pa×s	[282.90; 550.03]
η	0.0249265	Pa×s	282.90	Joback Calculated Property
η	0.0052844	Pa×s	327.42	Joback Calculated Property
η	0.0016241	Pa×s	371.94	Joback Calculated Property
η	0.0006423	Pa×s	416.46	Joback Calculated Property
η	0.0003039	Pa×s	460.99	Joback Calculated Property
η	0.0001640	Pa×s	505.51	Joback Calculated Property
η	0.0000978	Pa×s	550.03	Joback Calculated Property

Similar Compounds

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

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.