Chemical Properties of 1,3-Butadien-1-ol, acetate (CAS 1515-76-0)

1,3-Butadien-1-ol, acetate

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InChI
InChI=1S/C6H8O2/c1-3-4-5-8-6(2)7/h3-5H,1H2,2H3/b5-4+
InChI Key
NMQQBXHZBNUXGJ-SNAWJCMRSA-N
Formula
C6H8O2
SMILES
C=CC=COC(C)=O
Molecular Weight1
112.13
CAS
1515-76-0
Other Names
  • 1,3-Butadienyl acetate
  • 1,3-Butadienylester kyseliny octove
  • 1-Acetoxy-1,3-butadiene
  • 1-Acetoxybutadiene
  • Acetic acid, 1,3-butadienyl ester
  • Butadienyl acetate
Sources

Physical Properties

Property Value Unit Source
Δf -66.22 kJ/mol Joback Calculated Property
Δfgas -169.32 kJ/mol Joback Calculated Property
Δfus 13.01 kJ/mol Joback Calculated Property
Δvap 37.39 kJ/mol Joback Calculated Property
logPoct/wat 1.25 Crippen Calculated Property
Pc 3655.35 kPa Joback Calculated Property
Tboil 333.70 K NIST
Tc 604.45 K Joback Calculated Property
Tfus 229.10 ± 0.60 K NIST
Vc 0.36 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 169.29 J/mol×K 413.81 Joback Calculated Property
η 0.00 Pa×s 413.81 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=CH2 1
-CH3 1
=CH- 3
>C=O (nonring) 1

Similar Compounds

Acetic acid, iso-butenyl ester. cis-1,3-Butadien-1-yl ethyl ether. 1,3-Butadiene, 1-ethoxy-, (E). Acetic acid ethenyl ester. 2(3H)-Furanone. 2-Propenoic acid, ethenyl ester. hept-1-en-1-ol acetate. 1-Propen-2-ol, acetate. Propanoic acid, ethenyl ester. 1-Octen-1-ol, acetate. Vinyl crotonate. Ethyl-1-propenyl ether. trans-CH3CH=CH-OC2H5. cis-1-Propenyl ethyl ether. Isobutyric acid, isobutenyl ester.

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