Chemical Properties of 1,1'-Bicyclohexyl (CAS 92-51-3)

1,1'-Bicyclohexyl

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InChI
InChI=1S/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2
InChI Key
WVIIMZNLDWSIRH-UHFFFAOYSA-N
Formula
C12H22
SMILES
C1CCC(C2CCCCC2)CC1
Molecular Weight1
166.30
CAS
92-51-3
Other Names
  • 1,1'-Biphenyl, dodecahydro-
  • 1,1-Bicyclohexyl
  • BICYCLOHEXANE
  • Bicyclohexyl
  • Cyclohexane, cyclohexyl-
  • Cyclohexylcyclohexane
  • DICYCLOHEXYL
  • DODECAHYDRO-1,1-BIPHENYL
  • Dicyclohexane
  • Dodecahydrobiphenyl
  • NSC 59855
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Physical Properties

Property Value Unit Source
Δcliquid [-7596.50; -7439.65] kJ/mol Show
Δcliquid -7589.90 ± 2.60 kJ/mol NIST
Δcliquid -7593.00 ± 1.00 kJ/mol NIST
Δcliquid -7439.65 kJ/mol NIST
Δcliquid -7596.50 kJ/mol NIST
Δcliquid -7537.50 ± 6.30 kJ/mol NIST
Δf 99.06 kJ/mol Joback Calculated Property
Δfgas [-218.40; -215.30] kJ/mol Show
Δfgas -218.40 ± 3.10 kJ/mol NIST
Δfgas -215.30 kJ/mol NIST
Δfliquid [-276.40; -273.30] kJ/mol Show
Δfliquid -276.40 ± 3.10 kJ/mol NIST
Δfliquid -273.30 ± 1.20 kJ/mol NIST
Δfus 10.51 kJ/mol Joback Calculated Property
Δvap [57.98; 58.00] kJ/mol Show
Δvap 57.98 kJ/mol NIST
Δvap 58.00 ± 0.30 kJ/mol NIST
Δvap 58.00 kJ/mol NIST
Δvap 58.00 ± 0.20 kJ/mol NIST
IE 9.41 eV NIST
log10WS -4.15 Crippen Calculated Property
logPoct/wat 4.147 Crippen Calculated Property
McVol 158.220 ml/mol McGowan Calculated Property
Pc 2603.08 kPa Joback Calculated Property
Inp [1284.00; 1327.00]   Show
Inp 1313.00 NIST
Inp 1324.00 NIST
Inp 1309.00 NIST
Inp 1295.00 NIST
Inp 1327.00 NIST
Inp 1284.00 NIST
Inp 1327.00 NIST
Inp 1284.00 NIST
Inp 1301.50 NIST
Inp 1301.20 NIST
Inp 1293.10 NIST
Inp 1301.50 NIST
Inp 1307.80 NIST
Inp 1304.39 NIST
Inp 1293.10 NIST
Inp 1301.50 NIST
Inp 1307.80 NIST
Inp 1301.50 NIST
Inp 1301.20 NIST
Inp 1312.00 NIST
Inp 1298.00 NIST
Inp 1313.00 NIST
I [1420.00; 1431.00]   Show
I 1420.00 NIST
I 1431.00 NIST
Tboil 513.06 K Joback Calculated Property
Tc 745.11 K Joback Calculated Property
Tfus 239.76 K Joback Calculated Property
Ttriple 276.90 ± 0.00 K NIST
Vc 0.574 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [385.05; 518.21] J/mol×K [513.06; 745.11] Show
T(K)
Ideal gas heat capacity (J/mol×K)
380
400
420
440
460
480
500
520
600
700
Cp,gas 385.05 J/mol×K 513.06 Joback Calculated Property
Cp,gas 411.12 J/mol×K 551.73 Joback Calculated Property
Cp,gas 435.56 J/mol×K 590.41 Joback Calculated Property
Cp,gas 458.45 J/mol×K 629.08 Joback Calculated Property
Cp,gas 479.81 J/mol×K 667.76 Joback Calculated Property
Cp,gas 499.72 J/mol×K 706.43 Joback Calculated Property
Cp,gas 518.21 J/mol×K 745.11 Joback Calculated Property
Cp,liquid [283.00; 300.40] J/mol×K [298.15; 313.00] Show
Cp,liquid 283.00 J/mol×K 298.15 NIST
Cp,liquid 300.40 J/mol×K 311.00 NIST
Cp,liquid 300.00 J/mol×K 313.00 NIST
η [0.0002550; 0.0108669] Pa×s [239.76; 513.06] Show
T(K)
Dynamic viscosity (Pa×s)
0
2.00e-3
4.00e-3
6.00e-3
8.00e-3
0.01
300
400
500
η 0.0108669 Pa×s 239.76 Joback Calculated Property
η 0.0035294 Pa×s 285.31 Joback Calculated Property
η 0.0015623 Pa×s 330.86 Joback Calculated Property
η 0.0008424 Pa×s 376.41 Joback Calculated Property
η 0.0005190 Pa×s 421.96 Joback Calculated Property
η 0.0003514 Pa×s 467.51 Joback Calculated Property
η 0.0002550 Pa×s 513.06 Joback Calculated Property
ΔfusH [0.74; 7.08] kJ/mol [223.00; 277.20] Show
T(K)
Enthalpy of fusion at a given temperature (kJ/mol)
1
2
3
4
5
6
7
240
260
ΔfusH 6.86 kJ/mol 223.00 NIST
ΔfusH 1.54 kJ/mol 256.10 NIST
ΔfusH 0.74 kJ/mol 267.50 NIST
ΔfusH 7.08 kJ/mol 273.50 NIST
ΔfusH 6.78 kJ/mol 277.20 NIST
ΔfusH 6.78 kJ/mol 277.20 NIST
ΔvapH [42.50; 53.80] kJ/mol [421.00; 525.00] Show
ΔvapH 53.80 kJ/mol 421.00 NIST
ΔvapH 50.10 kJ/mol 435.00 NIST
ΔvapH 42.50 kJ/mol 525.00 NIST
n0 1.47870 293.15 Density...
ρl [828.60; 886.13] kg/m3 [293.15; 373.15] Show
T(K)
Liquid Density (kg/m3)
830
840
850
860
870
880
890
300
320
340
360
ρl 886.05 kg/m3 293.15 Densiti...
ρl 886.13 kg/m3 293.15 Density...
ρl 882.44 kg/m3 298.15 Densiti...
ρl 878.93 kg/m3 303.15 Density...
ρl 878.84 kg/m3 303.15 Densiti...
ρl 875.25 kg/m3 308.15 Densiti...
ρl 871.66 kg/m3 313.15 Densiti...
ρl 871.74 kg/m3 313.15 Density...
ρl 868.08 kg/m3 318.15 Densiti...
ρl 864.50 kg/m3 323.15 Densiti...
ρl 864.58 kg/m3 323.15 Density...
ρl 860.93 kg/m3 328.15 Densiti...
ρl 857.35 kg/m3 333.15 Densiti...
ρl 857.43 kg/m3 333.15 Density...
ρl 850.29 kg/m3 343.15 Density...
ρl 843.00 kg/m3 353.15 Density...
ρl 835.90 kg/m3 363.15 Density...
ρl 828.60 kg/m3 373.15 Density...
ΔfusS [2.77; 25.89] J/mol×K [256.10; 277.20] Show
ΔfusS 6.01 J/mol×K 256.10 NIST
ΔfusS 2.77 J/mol×K 267.50 NIST
ΔfusS 25.89 J/mol×K 273.50 NIST
ΔfusS 24.46 J/mol×K 277.20 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 372.50 ± 0.50 K 1.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [374.91; 540.29] The Yaw... Show
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.50496e+01
Coefficient B-4.73244e+03
Coefficient C-5.43230e+01
Temperature range, min.374.91
Temperature range, max.540.29
T(K)
Vapor pressure (kPa)
0
50
100
150
200
400
450
500
Pvap 1.33 kPa 374.91 Calculated Property
Pvap 2.97 kPa 393.29 Calculated Property
Pvap 6.09 kPa 411.66 Calculated Property
Pvap 11.63 kPa 430.04 Calculated Property
Pvap 20.93 kPa 448.41 Calculated Property
Pvap 35.73 kPa 466.79 Calculated Property
Pvap 58.29 kPa 485.16 Calculated Property
Pvap 91.35 kPa 503.54 Calculated Property
Pvap 138.21 kPa 521.91 Calculated Property
Pvap 202.64 kPa 540.29 Calculated Property
Pvap [2.28e-03; 2535.63] kPa [276.78; 727.00] KDB Vap... Show
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A9.73446e+01
Coefficient B-1.02483e+04
Coefficient C-1.18827e+01
Coefficient D5.45803e-06
Temperature range, min.276.78
Temperature range, max.727.00
T(K)
Vapor pressure (kPa)
0
500
1000
1500
2000
2500
400
600
Pvap 2.28e-03 kPa 276.78 Calculated Property
Pvap 0.11 kPa 326.80 Calculated Property
Pvap 1.55 kPa 376.83 Calculated Property
Pvap 10.62 kPa 426.85 Calculated Property
Pvap 45.22 kPa 476.88 Calculated Property
Pvap 139.85 kPa 526.90 Calculated Property
Pvap 347.46 kPa 576.93 Calculated Property
Pvap 741.46 kPa 626.95 Calculated Property
Pvap 1422.73 kPa 676.98 Calculated Property
Pvap 2535.63 kPa 727.00 Calculated Property

Similar Compounds

cis-Bicyclo[6.4.0]dodecane. Cyclohexyl-cycloheptane. cis-Bicyclo[5.4.0]undecane. 1,1':4',1''-Tercyclohexane. Bicyclo[5.4.0]undecane (trans). Naphthalene, decahydro-, trans-. Naphthalene, decahydro-, cis-. Naphthalene, decahydro-. 1,1'-Bicyclooctyl. Bicyclononyl. 1,1'-Bicycloheptyl. cis-Bicyclo[5.5.0]dodecane. trans-Bicyclo[5.5.0]dodecane. Anthracene, tetradecahydro-, (4a«alpha»,8a«alpha»,9a«alpha»,10a«alpha»)-. Anthracene, tetradecahydro-.

Find more compounds similar to 1,1'-Bicyclohexyl.

Mixtures

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