Chemical Properties of Tetracyclo[3.2.0.0(2,7).0(4,6)]heptane (CAS 278-06-8)

Tetracyclo[3.2.0.0(2,7).0(4,6)]heptane

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InChI
InChI=1S/C7H8/c1-2-4-5(2)7-3(1)6(4)7/h2-7H,1H2
InChI Key
DGZUEIPKRRSMGK-UHFFFAOYSA-N
Formula
C7H8
SMILES
C1C2C3C2C2C1C32
Molecular Weight1
92.14
CAS
278-06-8
Other Names
  • Quadricyclane
  • Tetracyclo[2.2.1.0(2,6).0(3,5)]heptane
  • [2.2.1.02,6.03,5]Quadricycloheptane
  • tetracyclo[2.2.1.02,6.03,5]heptane
Sources

Physical Properties

Property Value Unit Source
Δcliquid -4200.00 ± 2.20 kJ/mol NIST
Δcliquid -4114.30 ± 1.10 kJ/mol NIST
Δf 296.14 kJ/mol Joback Calculated Property
Δfgas [253.30; 339.10] kJ/mol Show Hide
Δfgas 336.00 kJ/mol NIST
Δfgas 333.00 kJ/mol NIST
Δfgas 339.10 ± 2.30 kJ/mol NIST
Δfgas 325.00 ± 4.20 kJ/mol NIST
Δfgas 253.30 ± 1.10 kJ/mol NIST
Δfliquid 302.10 ± 2.20 kJ/mol NIST
Δfliquid 216.30 ± 1.10 kJ/mol NIST
Δfus 19.07 kJ/mol Joback Calculated Property
Δvap [37.00; 37.90] kJ/mol Show Hide
Δvap 37.85 ± 0.44 kJ/mol NIST
Δvap 37.90 ± 0.10 kJ/mol NIST
Δvap 37.90 ± 0.10 kJ/mol NIST
Δvap 37.00 ± 0.80 kJ/mol NIST
Δvap 37.00 kJ/mol NIST
Δvap 37.00 ± 0.80 kJ/mol NIST
Δvap 37.00 ± 0.20 kJ/mol NIST
Δvap 37.00 kJ/mol NIST
IE 7.80 eV NIST
IE 8.70 eV NIST
IE 8.33 eV NIST
logPoct/wat 1.13 Crippen Calculated Property
Pc 4103.88 kPa Joback Calculated Property
Tboil 381.20 K NIST
Tc 541.30 K Joback Calculated Property
Tfus 249.53 K Joback Calculated Property
Vc 0.29 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 137.29 J/mol×K 355.83 Joback Calculated Property
Cp,liquid 139.10 J/mol×K 297.0 NIST
Cp,liquid 157.60 J/mol×K 298.15 NIST
η 0.00 Pa×s 355.83 Joback Calculated Property
ΔfusH 7.20 kJ/mol 180.0 NIST
ΔfusH 1.09 kJ/mol 228.0 NIST
ΔvapH 37.30 ± 0.80 kJ/mol 337.0 NIST
ΔfusS 40.00 J/mol×K 180.0 NIST
ΔfusS 4.80 J/mol×K 228.0 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- (ring) 6
-CH2- (ring) 1

Similar Compounds

Tetracyclo[4.1.0.0(2,4).0(3,5)]heptane. Anti-tricyclo[4.1.0.0(2,4)]heptane. Tetracyclo[5.2.1.02,6.03,5]decane,(1α,2α,3β,5β,6α,7α)-. Tricycloprop[cd,f,hi]indene,decahydro-,(1aα,1bα,1cβ,2aβ,2bα,2cα,2dα,2eα)-. Tricyclo[3.2.1.02,4]octane,(1«alpha»,2«beta»,4«beta»,5«alpha»)-. Tricyclo[3.2.1.02,4]octan-8-one,(1«alpha»,2«alpha»,4«alpha»,5«alpha»)-. Tricyclo[3.2.1.02,4]octan-8-one,exo-. Tricyclo[3.2.1.02,4]octane,(1«alpha»,2«alpha»,4«alpha»,5«alpha»)-. Nortricyclene. Pentacyclo[6.3.1.0(2,7).0(3,5).0(9,11)]dodecane. Pentacyclo[6.3.1.13,6.02,7.09,11]tridecane. Tetracyclo[6.2.1.0(2,7).o(3,5)]undecane. Tetracyclo[6.1.0.02,4.05,7]nonane(1α,2α,4α,5β,7β,8α)-. Hexacyclo[7:2:1:0(2,5):0(3,10):0(4,8):0(6,12)]dodacane. Pentacyclo[3.3.3.02,4.06,8.09.11]undecane, stereoisomer.

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