Chemical Properties of iso-Amyl levulinate (CAS 71172-75-3)

InChI

InChI=1S/C10H18O3/c1-8(2)6-7-13-10(12)5-4-9(3)11/h8H,4-7H2,1-3H3

InChI Key

NYIALINCMIXBSP-UHFFFAOYSA-N

Formula

C10H18O3

SMILES

CC(=O)CCC(=O)OCCC(C)C

Molecular Weight¹

186.25

CAS

71172-75-3

Other Names

• Isopentyl levulinate
• Pentanoic acid, 4-oxo-, 3-methylbutyl ester
• 3-methylbutyl 4-oxopentanoate

• 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	0.6052		Relay (1.0) Calculated Property
ΔfG°	-331.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-689.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.52	kJ/mol	Joback Calculated Property
ΔvapH°	60.86	kJ/mol	Relay (1.0) Calculated Property
IE	9.39	eV	Relay (1.0) Calculated Property
log10WS	-1.49		Relay (1.0) Calculated Property
logPoct/wat	1.945		Crippen Calculated Property
McVol	160.770	ml/mol	McGowan Calculated Property
Pc	2354.20	kPa	Joback Calculated Property
Inp	[1284.00; 1284.00]
Inp	1284.00		NIST
Inp	1284.00		NIST
I	[1807.00; 1807.00]
I	1807.00		NIST
I	1807.00		NIST
Tboil	509.10	K	Relay (1.0) Calculated Property
Tc	677.97	K	Relay (1.0) Calculated Property
Tfus	247.01	K	Relay (1.0) Calculated Property
Vc	0.591	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[390.55; 463.74]	J/mol×K	[557.92; 742.33]
Cp,gas	390.55	J/mol×K	557.92	Joback Calculated Property
Cp,gas	404.21	J/mol×K	588.66	Joback Calculated Property
Cp,gas	417.28	J/mol×K	619.39	Joback Calculated Property
Cp,gas	429.76	J/mol×K	650.13	Joback Calculated Property
Cp,gas	441.66	J/mol×K	680.86	Joback Calculated Property
Cp,gas	452.99	J/mol×K	711.60	Joback Calculated Property
Cp,gas	463.74	J/mol×K	742.33	Joback Calculated Property
η	[0.0002218; 0.0034308]	Pa×s	[309.55; 557.92]
η	0.0034308	Pa×s	309.55	Joback Calculated Property
η	0.0016605	Pa×s	350.95	Joback Calculated Property
η	0.0009367	Pa×s	392.34	Joback Calculated Property
η	0.0005894	Pa×s	433.74	Joback Calculated Property
η	0.0004021	Pa×s	475.13	Joback Calculated Property
η	0.0002916	Pa×s	516.53	Joback Calculated Property
η	0.0002218	Pa×s	557.92	Joback Calculated Property
ΔvapH	[56.30; 59.40]	kJ/mol	[461.00; 462.00]
ΔvapH	56.30	kJ/mol	461.00	NIST
ΔvapH	59.40	kJ/mol	462.00	NIST

Similar Compounds

Find more compounds similar to iso-Amyl levulinate.

Sources

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

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