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°	-329.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-683.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.04	kJ/mol	Joback Calculated Property
ΔvapH°	61.54	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	2336.03	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	684.78	K	Relay (1.0) Calculated Property
Tfus	257.61	K	Relay (1.0) Calculated Property
Vc	0.604	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[390.21; 461.96]	J/mol×K	[558.36; 739.30]
Cp,gas	390.21	J/mol×K	558.36	Joback Calculated Property
Cp,gas	403.56	J/mol×K	588.52	Joback Calculated Property
Cp,gas	416.35	J/mol×K	618.67	Joback Calculated Property
Cp,gas	428.57	J/mol×K	648.83	Joback Calculated Property
Cp,gas	440.25	J/mol×K	678.99	Joback Calculated Property
Cp,gas	451.38	J/mol×K	709.15	Joback Calculated Property
Cp,gas	461.96	J/mol×K	739.30	Joback Calculated Property
η	[0.0002364; 0.0026272]	Pa×s	[324.55; 558.36]
η	0.0026272	Pa×s	324.55	Joback Calculated Property
η	0.0014182	Pa×s	363.52	Joback Calculated Property
η	0.0008627	Pa×s	402.49	Joback Calculated Property
η	0.0005729	Pa×s	441.46	Joback Calculated Property
η	0.0004066	Pa×s	480.42	Joback Calculated Property
η	0.0003038	Pa×s	519.39	Joback Calculated Property
η	0.0002364	Pa×s	558.36	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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.