Chemical Properties of Cyclopropane, 1,1-diethynyl- (CAS 72323-66-1)

Cyclopropane, 1,1-diethynyl-

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InChI
InChI=1S/C7H6/c1-3-7(4-2)5-6-7/h1-2H,5-6H2
InChI Key
NYLVKOBKPNQZTK-UHFFFAOYSA-N
Formula
C7H6
SMILES
C#CC1(C#C)CC1
Molecular Weight1
90.12
CAS
72323-66-1
Sources

Physical Properties

Property Value Unit Source
Δcliquid -4113.00 ± 0.80 kJ/mol NIST
Δf 509.46 kJ/mol Joback Calculated Property
Δfgas 538.50 ± 1.20 kJ/mol NIST
Δfliquid 500.90 ± 1.20 kJ/mol NIST
Δfus 11.67 kJ/mol Joback Calculated Property
Δvap 37.60 kJ/mol NIST
Δvap 37.60 kJ/mol NIST
IE 8.90 eV NIST
IE 9.26 eV NIST
logPoct/wat 1.033 Crippen Calculated Property
Pc 4966.33 kPa Joback Calculated Property
Tboil 373.00 ± 0.30 K NIST
Tc 563.60 K Joback Calculated Property
Tfus 304.43 K Joback Calculated Property
Vc 0.306 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 132.83 J/mol×K 346.78 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
#C- 2
>C< (ring) 1
#CH 2
-CH2- (ring) 2

Similar Compounds

Cyclopropane, 1-ethynyl-1-(1-propynyl-. Cyclopropylacethylene. 1-Pentyne, 3,3-dimethyl-. Cyclopropane, 1-ethynyl-1-ethenyl-. 1-Pentyne, 3-methyl-. 1-Pentyne, 3,4-dimethyl. 1-Hexyne, 3,3-dimethyl. Cyclopropane, trans-1,2-diethynyl-. Cyclopropane,cis-1,2-diethynyl-. 3-Methyl-1-hexyne. 2-Hexyne, 4,4-dimethyl. 1-Hexyne, 3,5-dimethyl. 4-Methyl-2-hexyne. 1-Butyne, 3,3-dimethyl-. Cyclopropane, 1,1-dimethyl-.

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