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

Pentanoic acid, 4-oxo-, pentyl ester

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

Physical Properties

Property Value Unit Source
Δf -329.52 kJ/mol Joback Calculated Property
Δfgas -607.11 kJ/mol Joback Calculated Property
Δfus 26.04 kJ/mol Joback Calculated Property
Δvap 53.76 kJ/mol Joback Calculated Property
logPoct/wat 2.09 Crippen Calculated Property
Pc 2336.03 kPa Joback Calculated Property
Tboil 558.36 K Joback Calculated Property
Tc 739.30 K Joback Calculated Property
Tfus 324.55 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 390.21 J/mol×K 558.36 Joback Calculated Property
η 0.00 Pa×s 558.36 Joback Calculated Property
ΔvapH 66.30 kJ/mol 440.5 NIST
ΔvapH 56.20 kJ/mol 466.0 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH2- 6
>C=O (nonring) 2
-CH3 2

Similar Compounds

Levulinic acid, butyl ester. Pentanoic acid, 4-oxo-, butyl ester. Pentanoic acid, 4-oxo-, propyl ester. Pentanoic acid, 4-oxo-, ethyl ester. Iso-amyl levulinate. Iso-butyl levulinate. Iso-propyl levulinate. Pentanoic acid, pentyl ester. Allyl levulinate. n-Butyl pentenoate. Hexyl n-valerate. Pentanoic acid, 4-oxo-, methyl ester. 4-Oxoheptanedioic acid, diethyl ester. Valeric acid, hexadecyl ester. Pentanoic acid, nonyl ester.

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