Chemical Properties of Bicyclo[3.1.1]heptane, 2,6,6-trimethyl- (CAS 473-55-2)

Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-

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InChI
InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3
InChI Key
XOKSLPVRUOBDEW-UHFFFAOYSA-N
Formula
C10H18
SMILES
CC1CCC2CC1C2(C)C
Molecular Weight1
138.25
CAS
473-55-2
Other Names
  • 1a,2b,5a-2,6,6-Trimethylbicyclo(3.1.1)heptane
  • 2,6,6-Trimethylbicyclo(3.1.1)heptane
  • Dihydropinene
  • Pinane
Sources

Physical Properties

Property Value Unit Source
Δcliquid -6332.90 kJ/mol NIST
Δf 121.81 kJ/mol Joback Calculated Property
Δfgas -135.73 kJ/mol Joback Calculated Property
Δfus 11.67 kJ/mol Joback Calculated Property
Δvap 36.08 kJ/mol Joback Calculated Property
logPoct/wat 3.08 Crippen Calculated Property
Pc 2729.71 kPa Joback Calculated Property
Tboil 440.90 ± 2.00 K NIST
Tboil 438.00 ± 4.00 K NIST
Tboil 441.75 ± 0.30 K NIST
Tc 642.10 K Joback Calculated Property
Tfus 220.00 ± 1.00 K NIST
Tfus 193.05 ± 0.30 K NIST
Vc 0.50 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 287.02 J/mol×K 436.85 Joback Calculated Property
Cp,liquid 231.40 J/mol×K 311.0 NIST
Cp,liquid 231.80 J/mol×K 313.0 NIST

Molecular Descriptors

Joback and Reid Groups
>C< (ring) 1
-CH3 3
>CH- (ring) 3
-CH2- (ring) 3

Similar Compounds

Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, [1S-(1«alpha»,2«beta»,5«alpha»)]-. (-)-trans-Pinane. Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, (1«alpha»,2«beta»,5«alpha»)-. Copaane. 1,1,4a-Trimethyl-7,8a-(«alpha»-methylethano)-tetradecahydro-phenanthrene. Caryophyllane-a. Caryophyllane-b. Caryophyllane. Caryophyllane-c. Caryophyllane-d. 2,7,8b,3,4b,6-Ethanediylidene dipentaleno[1,6-ab:1',6'-ef]pentalene, hexadecahydro-. 4a,8a-Ethanonaphthalene, octahydro-. Tetraspiro[2.0.2.0.2.0.2.0]dodecane. Cyclohexane, 1-(3,7-dimethylnonyl)-2,2,6-trimethyl, # 4. Cyclohexane, 1-(3,7-dimethylnonyl)-2,2,6-trimethyl, # 1.

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