Chemical Properties of bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-propyn-1-yl ester

bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-propyn-1-yl ester

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InChI
InChI=1S/C11H12O2/c1-2-5-13-11(12)10-7-8-3-4-9(10)6-8/h1,3-4,8-10H,5-7H2
InChI Key
WITAKKIPQQHPBU-UHFFFAOYSA-N
Formula
C11H12O2
SMILES
C#CCOC(=O)C1CC2C=CC1C2
Molecular Weight1
176.21
Other Names
  • exo-2-(Prop-2-ynyloxycarbonyl)bicyclo[2.2.1]hept-5-ene
  • prop-2-yn-1-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate
Sources

Physical Properties

Property Value Unit Source
Δf 162.54 kJ/mol Joback Calculated Property
Δfgas -46.39 kJ/mol Joback Calculated Property
Δfus 26.47 kJ/mol Joback Calculated Property
Δvap 49.08 kJ/mol Joback Calculated Property
logPoct/wat 1.38 Crippen Calculated Property
Pc 3114.04 kPa Joback Calculated Property
Tboil 529.73 K Joback Calculated Property
Tc 749.07 K Joback Calculated Property
Tfus 361.74 K Joback Calculated Property
Vc 0.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 333.65 J/mol×K 529.73 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=CH- (ring) 2
#C- 1
-CH2- 1
#CH 1
>C=O (nonring) 1
>CH- (ring) 3
-CH2- (ring) 2

Similar Compounds

endo-2-(Prop-2-ynyloxycarbonyl)bicyclo[2.2.1]hept-5-ene. Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, ethyl ester. Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, methyl ester, exo-. Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, methyl ester, endo-. 5-Norbornene-2-carboxylic acid,methyl ester. endo-2-(1,1-Dimethylprop-2-ynyloxycarbonyl)bicyclo-2.2.1]hept-5-ene. exo-2-(1,1-Dimethylprop-2-ynyloxycarbonyl)bicyclo-[2.2.1]hept-5-ene. Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, diethyl ester. Carbic anhydride. (1«alpha»,2«alpha»,3«beta»,6«beta»)-1,2,3,6-tetrahydro-3,6-methanophthalic anhydride. Bicyclo[2,2,1]hept-5-ene-2,3-dicarboxylic acid, bis(2-ethylhexyl)ester. endo-2-(1,1-Dimethylpent-2-yn-4-enyloxycarbonyl)bicyclo[2.2.1]hept-5-ene. exo-2-(1,1-Dimethylpent-2-yn-4-enyloxycarbonyl)bicyclo[2.2.1]hept-5-ene. endo-Methylenetetrahydrophthalic acid, dimethyl ester. Dimethyl-5-norbornene-2,3-dicarboxylate.

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