Chemical Properties of Acetic acid, propyl ester (CAS 109-60-4)

Acetic acid, propyl ester

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InChI
InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
InChI Key
YKYONYBAUNKHLG-UHFFFAOYSA-N
Formula
C5H10O2
SMILES
CCCOC(C)=O
Molecular Weight1
102.13
CAS
109-60-4
Other Names
  • 1-Acetoxypropane
  • 1-Propyl acetate
  • Acetate de propyle normal
  • Acetic acid n-propyl ester
  • Acetic acid, propyl ester
  • CH3COOCH2CH2CH3
  • NSC 72025
  • Octan propylu
  • Propyl acetate
  • Propyl ester of acetic acid
  • Propyl ethanoate
  • Propylester kyseliny octove
  • UN 1276
  • n-Propanol acetate
  • n-Propyl ethanoate
Sources

Physical Properties

Property Value Unit Source
PAff 836.60 kJ/mol NIST
BasG 805.60 kJ/mol NIST
Δf -242.70 kJ/mol Joback Calculated Property
Δfgas -391.33 kJ/mol Joback Calculated Property
Δfus 11.49 kJ/mol Joback Calculated Property
Δvap [34.30; 39.80] kJ/mol Show Hide
Δvap 39.77 kJ/mol NIST
Δvap 37.70 kJ/mol NIST
Δvap 39.80 ± 0.10 kJ/mol NIST
Δvap 39.10 ± 0.20 kJ/mol NIST
Δvap 39.10 ± 0.20 kJ/mol NIST
Δvap Outlier 34.30 ± 0.04 kJ/mol NIST
IE 10.04 ± 0.03 eV NIST
IE 9.92 eV NIST
logPoct/wat 0.96 Crippen Calculated Property
Pc 3335.00 ± 81.06 kPa NIST
Pc 3365.10 ± 40.00 kPa NIST
Pc 3530.00 ± 101.32 kPa NIST
Tboil [370.65; 375.65] K Show Hide
Tboil 374.80 K NIST
Tboil 374.00 K NIST
Tboil 374.70 K NIST
Tboil 374.70 ± 0.30 K NIST
Tboil 374.28 ± 0.20 K NIST
Tboil 374.75 K NIST
Tboil 374.62 ± 0.50 K NIST
Tboil 374.20 ± 2.00 K NIST
Tboil 374.85 ± 0.50 K NIST
Tboil 374.75 ± 0.50 K NIST
Tboil 373.90 ± 1.00 K NIST
Tboil 372.65 ± 1.00 K NIST
Tboil 374.83 ± 0.30 K NIST
Tboil 374.50 ± 1.00 K NIST
Tboil Outlier 370.65 ± 1.00 K NIST
Tboil 374.75 ± 1.00 K NIST
Tboil 374.75 ± 1.00 K NIST
Tboil 374.69 ± 0.08 K NIST
Tboil 375.00 ± 3.00 K NIST
Tboil 374.75 ± 0.50 K NIST
Tboil 374.80 ± 0.50 K NIST
Tboil 374.80 ± 0.40 K NIST
Tboil 374.80 ± 0.50 K NIST
Tboil 374.75 ± 1.00 K NIST
Tboil 374.62 ± 1.00 K NIST
Tboil 375.15 ± 1.00 K NIST
Tboil 373.65 ± 1.00 K NIST
Tboil 373.95 ± 0.50 K NIST
Tboil 374.70 ± 1.00 K NIST
Tboil 375.30 ± 1.00 K NIST
Tboil 374.70 ± 0.50 K NIST
Tboil 373.00 ± 2.00 K NIST
Tboil 375.00 ± 1.50 K NIST
Tboil 373.95 ± 1.00 K NIST
Tboil 375.65 ± 1.00 K NIST
Tboil 375.20 ± 0.70 K NIST
Tboil Outlier 371.00 ± 3.00 K NIST
Tboil 375.13 ± 1.00 K NIST
Tc [537.70; 549.73] K Show Hide
Tc 549.40 K NIST
Tc 549.73 ± 0.05 K NIST
Tc 549.40 ± 1.00 K NIST
Tc 549.40 ± 1.00 K NIST
Tc Outlier 537.70 ± 10.00 K NIST
Tc 549.50 ± 1.00 K NIST
Tfus 178.15 K NIST
Tfus 178.15 ± 0.60 K NIST
Vc 0.34 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [153.64; 178.95] J/mol×K [375.00; 450.00] Show Hide
Cp,gas 153.64 J/mol×K 375.0 NIST
Cp,gas 162.33 J/mol×K 400.0 NIST
Cp,gas 171.19 J/mol×K 425.0 NIST
Cp,gas 178.95 J/mol×K 450.0 NIST
Cp,liquid 194.10 J/mol×K 298.0 NIST
Cp,liquid 196.07 J/mol×K 298.15 NIST
η 0.00 Pa×s 390.09 Joback Calculated Property
ΔvapH [33.90; 38.60] kJ/mol [313.00; 458.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 38.60 ± 0.10 kJ/mol 313.0 NIST
ΔvapH 36.90 kJ/mol 335.0 NIST
ΔvapH 36.70 kJ/mol 335.0 NIST
ΔvapH 36.90 ± 0.10 kJ/mol 336.0 NIST
ΔvapH 38.20 kJ/mol 343.0 NIST
ΔvapH 35.30 ± 0.10 kJ/mol 343.0 NIST
ΔvapH 36.40 ± 0.10 kJ/mol 344.0 NIST
ΔvapH 35.80 ± 0.10 kJ/mol 351.0 NIST
ΔvapH 37.00 kJ/mol 352.5 NIST
ΔvapH 38.10 kJ/mol 352.5 NIST
ΔvapH 34.80 ± 0.10 kJ/mol 363.0 NIST
ΔvapH 33.92 kJ/mol 374.7 NIST
ΔvapH 33.90 kJ/mol 375.0 NIST
ΔvapH 34.80 kJ/mol 458.0 NIST

Molecular Descriptors

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

Similar Compounds

Acetic acid, 3-hydroxypropyl ester. Acetic acid, butyl ester. Propanoic acid, propyl ester. Isobutyl acetate. Propanoic acid, ethyl ester. 1-Propanol, 3-chloro-, acetate. 3-Mercaptopropyl-1-acetate. 3-mercapropropyl acetate. 3-Mercaptopropylacetate. 2-Vinylethyl acetate. 3-Sulfanylpropyl acetate. 1,3-Propanediol, diacetate. Acetic propanoic anhydride. 3-Ethoxypropyl acetate. Ethyl acetate.

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