Chemical Properties of Pentanoic acid, 4-oxo-, pentyl ester (CAS 20279-49-6)

InChI

InChI=1S/C10H18O3/c1-3-4-5-8-13-10(12)7-6-9(2)11/h3-8H2,1-2H3

InChI Key

NLDFWNCRMVSDMC-UHFFFAOYSA-N

Formula

C10H18O3

SMILES

CCCCCOC(=O)CCC(C)=O

Molecular Weight¹

186.25

CAS

20279-49-6

Other Names

• n-Amyl levulinate
• Pentyl 4-oxopentanoate
• Pentyl levulinate
• Levulinic acid, pentyl ester
• pentyl 4-oxovalerate

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.6420		Relay (1.0) Calculated Property
ΔfG°	-405.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-683.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.62	kJ/mol	Joback Calculated Property
ΔvapH°	62.94	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-1.56		Relay (1.0) Calculated Property
logPoct/wat	2.089		Crippen Calculated Property
McVol	160.770	ml/mol	McGowan Calculated Property
Pc	2246.13	kPa	Joback Calculated Property
Inp	[1324.00; 1325.00]
Inp	1325.00		NIST
Inp	1325.00		NIST
Inp	1324.00		NIST
I	[1860.00; 1860.00]
I	1860.00		NIST
I	1860.00		NIST
Tboil	516.12	K	Relay (1.0) Calculated Property
Tc	689.59	K	Relay (1.0) Calculated Property
Tfus	253.32	K	Relay (1.0) Calculated Property
Vc	0.608	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[385.06; 457.92]	J/mol×K	[540.49; 718.85]
Cp,gas	385.06	J/mol×K	540.49	Joback Calculated Property
Cp,gas	398.67	J/mol×K	570.22	Joback Calculated Property
Cp,gas	411.68	J/mol×K	599.94	Joback Calculated Property
Cp,gas	424.10	J/mol×K	629.67	Joback Calculated Property
Cp,gas	435.95	J/mol×K	659.40	Joback Calculated Property
Cp,gas	447.22	J/mol×K	689.12	Joback Calculated Property
Cp,gas	457.92	J/mol×K	718.85	Joback Calculated Property
η	[0.0002182; 0.0040179]	Pa×s	[294.72; 540.49]
η	0.0040179	Pa×s	294.72	Joback Calculated Property
η	0.0018387	Pa×s	335.68	Joback Calculated Property
η	0.0009974	Pa×s	376.64	Joback Calculated Property
η	0.0006100	Pa×s	417.61	Joback Calculated Property
η	0.0004074	Pa×s	458.57	Joback Calculated Property
η	0.0002906	Pa×s	499.53	Joback Calculated Property
η	0.0002182	Pa×s	540.49	Joback Calculated Property
ΔvapH	[56.20; 66.30]	kJ/mol	[440.50; 466.00]
ΔvapH	66.30	kJ/mol	440.50	NIST
ΔvapH	56.20	kJ/mol	466.00	NIST

Similar Compounds

Find more compounds similar to Pentanoic acid, 4-oxo-, pentyl ester.

Sources

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

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