Chemical Properties of .alpha.-sec-Butyldecalin (CAS 92369-82-9)

.alpha.-sec-Butyldecalin

InChI
InChI=1S/C14H26/c1-3-11(2)13-10-6-8-12-7-4-5-9-14(12)13/h11-14H,3-10H2,1-2H3
InChI Key
KFRUPTVLKRBRTH-UHFFFAOYSA-N
Formula
C14H26
SMILES
CCC(C)C1CCCC2CCCCC21
Molecular Weight1
194.36
CAS
92369-82-9
Other Names
  • Decahydro-1-(1-methylpropyl)naphthalene
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Physical Properties

Property Value Unit Source
ω 0.3506 Relay (1.0) Calculated Property
ΔfusH° 17.43 kJ/mol Joback Calculated Property
IE 9.16 eV Relay (1.0) Calculated Property
logPoct/wat 4.639 Crippen Calculated Property
McVol 186.400 ml/mol McGowan Calculated Property
Pc 2016.32 kPa Joback Calculated Property
Tboil 527.50 K Relay (1.0) Calculated Property
Tc 756.11 K Relay (1.0) Calculated Property
Tfus 235.00 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l 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 [350.60; 507.00] J/mol×K [310.00; 480.00] Show Hide
Cp,liquid 351.00 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 350.60 J/mol×K 311.00 NIST
Cp,liquid 352.30 J/mol×K 313.00 NIST
Cp,liquid 358.00 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 365.00 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 372.00 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 380.00 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 388.00 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 396.00 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 405.00 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 414.00 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 423.00 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 432.00 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 442.00 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 452.00 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 463.00 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 473.00 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 484.00 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 495.00 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 507.00 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 [237.97; 715.39] 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-1.26549e+02
Coefficient B1.57664e+00
Coefficient C-9.40400e-04
Coefficient D2.05700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 237.97 J/mol×K 273.00 Calculated Property
Cp,gas 322.64 J/mol×K 353.78 Calculated Property
Cp,gas 397.88 J/mol×K 434.56 Calculated Property
Cp,gas 464.36 J/mol×K 515.33 Calculated Property
Cp,gas 522.71 J/mol×K 596.11 Calculated Property
Cp,gas 573.58 J/mol×K 676.89 Calculated Property
Cp,gas 617.64 J/mol×K 757.67 Calculated Property
Cp,gas 655.53 J/mol×K 838.44 Calculated Property
Cp,gas 687.89 J/mol×K 919.22 Calculated Property
Cp,gas 715.39 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0052223; 0.0003790] Pa×s [250.10; 530.80] 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-1.02153e+01
Coefficient B1.24061e+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.250.10
Temperature range, max.530.80
η 0.0052223 Pa×s 250.10 Calculated Property
η 0.0030130 Pa×s 281.29 Calculated Property
η 0.0019400 Pa×s 312.48 Calculated Property
η 0.0013531 Pa×s 343.67 Calculated Property
η 0.0010020 Pa×s 374.86 Calculated Property
η 0.0007771 Pa×s 406.05 Calculated Property
η 0.0006249 Pa×s 437.23 Calculated Property
η 0.0005173 Pa×s 468.42 Calculated Property
η 0.0004385 Pa×s 499.61 Calculated Property
η 0.0003790 Pa×s 530.80 Calculated Property

Similar Compounds

Cyclohexane, 2-(1-decylundecyl)-1,4-dimethyl-. Naphthalene, decahydro-1,4-dimethyl-5-octyl-. Cyclohexane, 1,3,5-trimethyl-2-octadecyl-. Cyclohexane, (1,2-dimethylbutyl)-. Cyclohexane, 1-ethyl-2,3-dimethyl-. Cyclohexane, 1,1'-dodecylidenebis[4-methyl-. Cyclohexane, 1,4-dimethyl-2-octadecyl-. Naphthalene, decahydro-2,6-dimethyl-3-octyl-. 3-Ethyl-5-methyl-1-propyl-cyclohexane. Amorphane-a (isocadinane). trans,trans,cis-Bicyclo[4.4.0]decane, 2,3-dimethyl. trans,trans,cis-Bicyclo[4.4.0]decane, 2,8-dimethyl. trans,cis,trans-Bicyclo[4.4.0]decane, 2,5-dimethyl. trans,trans,trans-Bicyclo[4.4.0]decane, 2,5-dimethyl. trans,trans,cis-Bicyclo[4.4.0]decane, 2,9-dimethyl.

Find more compounds similar to .alpha.-sec-Butyldecalin.

Sources

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