Chemical Properties of 1,1':3',1''-Tercyclohexane (CAS 1706-50-9)

1,1':3',1''-Tercyclohexane

InChI
InChI=1S/C18H32/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h15-18H,1-14H2
InChI Key
JBQRJHVXZMSLNH-UHFFFAOYSA-N
Formula
C18H32
SMILES
C1CCC(C2CCCC(C3CCCCC3)C2)CC1
Molecular Weight1
248.45
CAS
1706-50-9
Other Names
  • 1,3-(Dicyclohexyl)cyclohexane
  • 1,3-Tercyclohexyl
  • m-Tercyclohexane
  • m-Tercyclohexyl
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔcH°liquid -11114.20 kJ/mol NIST
ΔfH°gas -275.93 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 18.95 kJ/mol Joback Calculated Property
ΔvapH° 84.18 kJ/mol Relay (1.0) Calculated Property
IE 9.12 eV Relay (1.0) Calculated Property
log10WS -7.30 Relay (1.0) Calculated Property
logPoct/wat 5.953 Crippen Calculated Property
McVol 231.900 ml/mol McGowan Calculated Property
Pc 1789.39 kPa Joback Calculated Property
Tboil 619.68 K Relay (1.0) Calculated Property
Tc 832.02 K Relay (1.0) Calculated Property
Tfus 315.06 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid [457.30; 638.00] J/mol×K [310.00; 480.00] Show Hide
Cp,liquid 460.00 J/mol×K 310.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 457.30 J/mol×K 311.00 NIST
Cp,liquid 464.00 J/mol×K 320.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 468.00 J/mol×K 330.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 474.00 J/mol×K 340.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 480.00 J/mol×K 350.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 487.00 J/mol×K 360.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 495.00 J/mol×K 370.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 502.10 J/mol×K 373.00 NIST
Cp,liquid 504.00 J/mol×K 380.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 514.00 J/mol×K 390.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 524.00 J/mol×K 400.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 536.00 J/mol×K 410.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 548.00 J/mol×K 420.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 561.00 J/mol×K 430.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 575.00 J/mol×K 440.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 589.00 J/mol×K 450.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 605.00 J/mol×K 460.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 621.00 J/mol×K 470.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 638.00 J/mol×K 480.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [275.24; 909.85] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.04350e+02
Coefficient B2.05360e+00
Coefficient C-1.14300e-03
Coefficient D2.03600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 275.24 J/mol×K 273.00 Calculated Property
Cp,gas 388.13 J/mol×K 353.78 Calculated Property
Cp,gas 488.92 J/mol×K 434.56 Calculated Property
Cp,gas 578.26 J/mol×K 515.33 Calculated Property
Cp,gas 656.79 J/mol×K 596.11 Calculated Property
Cp,gas 725.15 J/mol×K 676.89 Calculated Property
Cp,gas 784.00 J/mol×K 757.67 Calculated Property
Cp,gas 833.97 J/mol×K 838.44 Calculated Property
Cp,gas 875.70 J/mol×K 919.22 Calculated Property
Cp,gas 909.85 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0067794; 0.0002008] Pa×s [310.52; 637.60] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.18547e+01
Coefficient B2.13044e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.310.52
Temperature range, max.637.60
η 0.0067794 Pa×s 310.52 Calculated Property
η 0.0033037 Pa×s 346.86 Calculated Property
η 0.0018452 Pa×s 383.20 Calculated Property
η 0.0011399 Pa×s 419.55 Calculated Property
η 0.0007605 Pa×s 455.89 Calculated Property
η 0.0005386 Pa×s 492.23 Calculated Property
η 0.0003999 Pa×s 528.57 Calculated Property
η 0.0003086 Pa×s 564.91 Calculated Property
η 0.0002457 Pa×s 601.25 Calculated Property
η 0.0002008 Pa×s 637.60 Calculated Property

Similar Compounds

Tricyclo[8.4.0.0(3,8)]dodecane, isomer # 4. trans-anti-trans-Tetra-decahydroanthracene. Tricyclo[8.4.0.0(3,8)]dodecane, isomer # 2. Tricyclo[8.4.0.0(3,8)]dodecane, isomer # 5. ANTHRACENE, TETRADECAHYDRO-. Naphthacene, octadecahydro-. Tricyclo[8.4.0.0(3,8)]dodecane, isomer # 3. Perhydroanthracene, (4a«alpha», 8a«beta», 9a«alpha», 10a«beta»)-. Tricyclo[8.4.0.0(3,8)]dodecane, isomer # 1. Naphthalene, decahydro-, 2,2'-bis. Anthracene, tetradecahydro-, (4a«alpha»,8a«alpha»,9a«beta»,10a«alpha»)-. Anthracene, tetradecahydro-, (4a«alpha»,8a«alpha»,9a«alpha»,10a«alpha»)-. Perhydroanthracene, (4a«alpha», 8a«alpha», 9a«alpha», 10a«beta»)-. Perhydropyrene, # 4. 1,1':2',1''-Tercyclohexane.

Find more compounds similar to 1,1':3',1''-Tercyclohexane.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.