Chemical Properties of Cyclohexane, (1,1-dimethylethyl)- (CAS 3178-22-1)

Cyclohexane, (1,1-dimethylethyl)-

InChI
InChI=1S/C10H20/c1-10(2,3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChI Key
XTVMZZBLCLWBPM-UHFFFAOYSA-N
Formula
C10H20
SMILES
CC(C)(C)C1CCCCC1
Molecular Weight1
140.27
CAS
3178-22-1
Other Names
  • (1,1-Dimethylethyl)cyclohexane
  • 1,1-dimethylethylcyclohexane
  • 1-tert-Butylcyclohexane
  • 2-cyclohexyl-2-methylpropane
  • Cyclohexane, t-butyl-
  • cyclohexane, tert-butyl-
  • t-Butylcyclohexane
  • tert-butylcyclohexane
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Physical Properties

Property Value Unit Source
ω [0.2520; 0.2991]   Show Hide
ω 0.2520 Passut and Danner (1973), critical constants and acentric factors Compiled value
ω 0.2991 ChemSep v8.3 pure component data Compiled value
ω 0.2520 KDB
μ [0.00; 0.00] debye Show Hide
μ 0.00 debye ChemSep v8.3 pure component data Compiled value
μ 0.00 debye KDB
ΔfG° 56.95 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas -216.90 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfusH° 6.08 kJ/mol Joback Calculated Property
ΔvapH° 46.98 kJ/mol NIST
IE 9.40 eV Relay (1.0) Calculated Property
logPoct/wat 3.613 Crippen Calculated Property
McVol 140.900 ml/mol McGowan Calculated Property
Pc [2660.00; 2669.65] kPa Show Hide
Pc 2669.65 kPa Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc 2660.00 kPa ChemSep v8.3 pure component data Compiled value
Pc 2660.00 kPa KDB
Ptriple 1.20e-03 kPa ChemSep v8.3 pure component data Compiled value
Inp [978.10; 1027.10]   Show Hide
Inp 1014.10 NIST
Inp 1027.10 NIST
Inp 1003.00 NIST
Inp 1012.00 NIST
Inp 1021.00 NIST
Inp 1025.00 NIST
Inp 1005.00 NIST
Inp 984.00 NIST
Inp 988.00 NIST
Inp 978.10 NIST
Inp 982.20 NIST
Inp 985.20 NIST
Inp 983.10 NIST
Inp 1014.00 NIST
Inp 1000.00 NIST
Inp 1014.10 NIST
Inp 1025.00 NIST
Inp 1014.00 NIST
Ip [1062.00; 1088.00]   Show Hide
Ip 1062.00 NIST
Ip 1075.00 NIST
Ip 1088.00 NIST
Tboil [440.20; 444.90] K Show Hide
Tboil 444.65 K ChemSep v8.3 pure component data Compiled value
Tboil 444.70 K KDB
Tboil Outlier 440.20 K NIST
Tboil 444.70 K NIST
Tboil 444.70 K NIST
Tboil 444.74 ± 0.03 K NIST
Tboil 444.90 ± 0.50 K NIST
Tboil 444.69 ± 0.20 K NIST
Tc [646.90; 659.26] K Show Hide
Tc 646.90 K DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
Tc 652.00 K Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
Tc 659.26 K Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc 652.00 K ChemSep v8.3 pure component data Compiled value
Tc 659.00 K KDB
Tc 659.00 K NIST
Tfus [231.95; 232.05] K Show Hide
Tfus 232.05 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 231.98 K ChemSep v8.3 pure component data Compiled value
Tfus 232.00 K KDB
Tfus 231.95 ± 0.20 K NIST
Ttriple 231.98 K ChemSep v8.3 pure component data Compiled value
UQi 5.47 ChemSep v8.3 pure component data Compiled value
URi 6.74 ChemSep v8.3 pure component data Compiled value
Vc 0.510 m3/kmol ChemSep v8.3 pure component data Compiled value
Zc 0.2500000 ChemSep v8.3 pure component data Compiled value
Zra 0.26 ChemSep v8.3 pure component data Compiled value

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid [264.80; 350.30] J/mol×K [313.00; 420.00] Show Hide
Cp,liquid 264.80 J/mol×K 313.00 NIST
Cp,liquid 269.70 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 277.80 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 285.80 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 293.90 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 301.90 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 310.00 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 318.10 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 326.10 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 334.20 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 342.20 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 350.30 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
ΔvapH [37.01; 45.00] kJ/mol [328.00; 444.70] Show Hide
ΔvapH 45.00 ± 0.10 kJ/mol 328.00 NIST
ΔvapH 44.00 ± 0.10 kJ/mol 343.00 NIST
ΔvapH 43.00 ± 0.10 kJ/mol 358.00 NIST
ΔvapH 42.40 ± 0.10 kJ/mol 368.00 NIST
ΔvapH 42.90 kJ/mol 400.50 NIST
ΔvapH 37.01 kJ/mol 444.70 NIST
ρl 813.00 kg/m3 293.00 KDB

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [185.96; 613.98] J/mol×K [273.00; 1500.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,gas in J/mol×K, T in K
Coefficient A9.53390e+01
Coefficient B-6.01240e+02
Coefficient C6.71524e+00
Coefficient D-1.85210e-05
Coefficient E-1.57400e-08
Temperature range, min.273.00
Temperature range, max.1500.00
Cp,gas 185.96 J/mol×K 273.00 Calculated Property
Cp,gas 283.29 J/mol×K 409.33 Calculated Property
Cp,gas 365.39 J/mol×K 545.67 Calculated Property
Cp,gas 430.20 J/mol×K 682.00 Calculated Property
Cp,gas 480.95 J/mol×K 818.33 Calculated Property
Cp,gas 520.91 J/mol×K 954.67 Calculated Property
Cp,gas 552.58 J/mol×K 1091.00 Calculated Property
Cp,gas 577.81 J/mol×K 1227.33 Calculated Property
Cp,gas 597.95 J/mol×K 1363.67 Calculated Property
Cp,gas 613.98 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [201.58; 370.68] J/mol×K [231.98; 444.65] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,liquid in J/mol×K, T in K
Coefficient A4.09960e+01
Coefficient B-1.22740e+02
Coefficient C4.93824e+00
Coefficient D3.24880e-03
Coefficient E-1.56110e-06
Temperature range, min.231.98
Temperature range, max.444.65
Cp,liquid 201.58 J/mol×K 231.98 Calculated Property
Cp,liquid 219.84 J/mol×K 255.61 Calculated Property
Cp,liquid 238.19 J/mol×K 279.24 Calculated Property
Cp,liquid 256.67 J/mol×K 302.87 Calculated Property
Cp,liquid 275.30 J/mol×K 326.50 Calculated Property
Cp,liquid 294.10 J/mol×K 350.13 Calculated Property
Cp,liquid 313.06 J/mol×K 373.76 Calculated Property
Cp,liquid 332.16 J/mol×K 397.39 Calculated Property
Cp,liquid 351.38 J/mol×K 421.02 Calculated Property
Cp,liquid 370.68 J/mol×K 444.65 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0049117; 0.0002492] Pa×s [231.98; 444.65] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.15490e+01
Coefficient B1.44590e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.231.98
Temperature range, max.444.65
η 0.0049117 Pa×s 231.98 Calculated Property
η 0.0027605 Pa×s 255.61 Calculated Property
η 0.0017104 Pa×s 279.24 Calculated Property
η 0.0011420 Pa×s 302.87 Calculated Property
η 0.0008083 Pa×s 326.50 Calculated Property
η 0.0005995 Pa×s 350.13 Calculated Property
η 0.0004618 Pa×s 373.76 Calculated Property
η 0.0003669 Pa×s 397.39 Calculated Property
η 0.0002991 Pa×s 421.02 Calculated Property
η 0.0002492 Pa×s 444.65 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [52.24; 10.87] kJ/mol [231.98; 629.89] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc
Y is ΔvapH in kJ/mol, T in K
Coefficient A6.94540e+01
Coefficient B4.09150e-01
Coefficient C1.64940e+00
Coefficient D-3.44940e+00
Coefficient E1.95730e+00
Critical temperature, Tc (K)6.52000e+02
Temperature range, min.231.98
Temperature range, max.629.89
ΔvapH 52.24 kJ/mol 231.98 Calculated Property
ΔvapH 48.88 kJ/mol 276.19 Calculated Property
ΔvapH 45.70 kJ/mol 320.40 Calculated Property
ΔvapH 42.65 kJ/mol 364.62 Calculated Property
ΔvapH 39.60 kJ/mol 408.83 Calculated Property
ΔvapH 36.31 kJ/mol 453.04 Calculated Property
ΔvapH 32.45 kJ/mol 497.25 Calculated Property
ΔvapH 27.55 kJ/mol 541.47 Calculated Property
ΔvapH 20.87 kJ/mol 585.68 Calculated Property
ΔvapH 10.87 kJ/mol 629.89 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [321.45; 476.05] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.32339e+01
Coefficient B-3.15642e+03
Coefficient C-7.76360e+01
Temperature range, min.321.45
Temperature range, max.476.05
Pvap 1.33 kPa 321.45 Calculated Property
Pvap 3.13 kPa 338.63 Calculated Property
Pvap 6.60 kPa 355.81 Calculated Property
Pvap 12.77 kPa 372.98 Calculated Property
Pvap 22.97 kPa 390.16 Calculated Property
Pvap 38.87 kPa 407.34 Calculated Property
Pvap 62.45 kPa 424.52 Calculated Property
Pvap 95.95 kPa 441.69 Calculated Property
Pvap 141.80 kPa 458.87 Calculated Property
Pvap 202.63 kPa 476.05 Calculated Property
Pvap [8.85e-04; 2660.00] kPa [231.98; 632.18] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is Pvap in kPa, T in K
Coefficient A1.16259e+02
Coefficient B-9.67556e+03
Coefficient C-1.50819e+01
Coefficient D1.05041e-05
Coefficient E2.00000e+00
CommentRange stopped where the equation exceeds Pc; ChemSep gives it to 652 K.
Temperature range, min.231.98
Temperature range, max.632.18
Pvap 8.85e-04 kPa 231.98 Calculated Property
Pvap 0.07 kPa 276.45 Calculated Property
Pvap 1.16 kPa 320.91 Calculated Property
Pvap 8.87 kPa 365.38 Calculated Property
Pvap 39.89 kPa 409.85 Calculated Property
Pvap 127.35 kPa 454.32 Calculated Property
Pvap 324.56 kPa 498.78 Calculated Property
Pvap 712.70 kPa 543.25 Calculated Property
Pvap 1419.83 kPa 587.72 Calculated Property
Pvap 2660.00 kPa 632.18 Calculated Property
Pvap [0.05; 2616.37] kPa [273.15; 659.00] KDB Vapor Pressure Data Show Hide
Equationln(Y) = A + B/T + C·ln(T) + D·T² + E/T²
Y is Pvap in kPa, T in K
Coefficient A8.63471e+01
Coefficient B-8.58272e+03
Coefficient C-1.03859e+01
Coefficient D4.50963e-06
Coefficient E0.00000e+00
Temperature range, min.273.15
Temperature range, max.659.00
Pvap 0.05 kPa 273.15 Calculated Property
Pvap 0.87 kPa 316.02 Calculated Property
Pvap 6.77 kPa 358.89 Calculated Property
Pvap 31.18 kPa 401.77 Calculated Property
Pvap 100.51 kPa 444.64 Calculated Property
Pvap 252.65 kPa 487.51 Calculated Property
Pvap 531.90 kPa 530.38 Calculated Property
Pvap 985.09 kPa 573.26 Calculated Property
Pvap 1661.41 kPa 616.13 Calculated Property
Pvap 2616.37 kPa 659.00 Calculated Property
Pvap [6.39; 104.00] kPa [357.18; 445.82] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.37681e+01
Coefficient B-3.45415e+03
Coefficient C-6.72270e+01
ReferenceForziati, Norris, et al., 1949
Temperature range, min.357.18
Temperature range, max.445.82
Pvap 6.39 kPa 357.18 Calculated Property
Pvap 9.46 kPa 367.03 Calculated Property
Pvap 13.64 kPa 376.88 Calculated Property
Pvap 19.24 kPa 386.73 Calculated Property
Pvap 26.58 kPa 396.58 Calculated Property
Pvap 36.04 kPa 406.42 Calculated Property
Pvap 48.04 kPa 416.27 Calculated Property
Pvap 63.03 kPa 426.12 Calculated Property
Pvap 81.51 kPa 435.97 Calculated Property
Pvap 104.00 kPa 445.82 Calculated Property
Pvap [6.39; 104.00] kPa [357.18; 445.82] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.37681e+01
Coefficient B-3.45415e+03
Coefficient C-6.72270e+01
ReferenceForziati, Norris, et al., 1949, 2
Temperature range, min.357.18
Temperature range, max.445.82
Pvap 6.39 kPa 357.18 Calculated Property
Pvap 9.46 kPa 367.03 Calculated Property
Pvap 13.64 kPa 376.88 Calculated Property
Pvap 19.24 kPa 386.73 Calculated Property
Pvap 26.58 kPa 396.58 Calculated Property
Pvap 36.04 kPa 406.42 Calculated Property
Pvap 48.04 kPa 416.27 Calculated Property
Pvap 63.03 kPa 426.12 Calculated Property
Pvap 81.51 kPa 435.97 Calculated Property
Pvap 104.00 kPa 445.82 Calculated Property
Property Value Unit Temperature (K) Source
ρl [862.45; 424.47] kg/m3 [231.98; 629.89] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A / B^(1 + (1 − T/C)^D)
Y is ρl in kg/m3, T in K
Coefficient A7.34824e+01
Coefficient B2.67050e-01
Coefficient C6.52000e+02
Coefficient D3.29130e-01
Temperature range, min.231.98
Temperature range, max.629.89
ρl 862.45 kg/m3 231.98 Calculated Property
ρl 827.75 kg/m3 276.19 Calculated Property
ρl 791.77 kg/m3 320.40 Calculated Property
ρl 754.19 kg/m3 364.62 Calculated Property
ρl 714.58 kg/m3 408.83 Calculated Property
ρl 672.30 kg/m3 453.04 Calculated Property
ρl 626.28 kg/m3 497.25 Calculated Property
ρl 574.54 kg/m3 541.47 Calculated Property
ρl 512.68 kg/m3 585.68 Calculated Property
ρl 424.47 kg/m3 629.89 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.03; 4.84e-04] N/m [231.98; 629.89] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is γ in N/m, T in K
Coefficient A-8.90590e-02
Coefficient B-2.46970e+01
Coefficient C-1.67640e+00
Coefficient D-1.56120e-03
Coefficient E7.20730e-07
Temperature range, min.231.98
Temperature range, max.629.89
γ 0.03 N/m 231.98 Calculated Property
γ 0.03 N/m 276.19 Calculated Property
γ 0.02 N/m 320.40 Calculated Property
γ 0.02 N/m 364.62 Calculated Property
γ 0.02 N/m 408.83 Calculated Property
γ 0.01 N/m 453.04 Calculated Property
γ 0.01 N/m 497.25 Calculated Property
γ 0.01 N/m 541.47 Calculated Property
γ 0.00 N/m 585.68 Calculated Property
γ 4.84e-04 N/m 629.89 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.01; 0.09] W/m×K [231.98; 1000.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·T^B / (1 + C/T + D/T²)
Y is λgas in W/m×K, T in K
Coefficient A7.76070e-02
Coefficient B1.40040e-01
Coefficient C-9.19400e+01
Coefficient D1.37250e+06
Temperature range, min.231.98
Temperature range, max.1000.00
λgas 0.01 W/m×K 231.98 Calculated Property
λgas 0.01 W/m×K 317.32 Calculated Property
λgas 0.02 W/m×K 402.65 Calculated Property
λgas 0.03 W/m×K 487.99 Calculated Property
λgas 0.04 W/m×K 573.32 Calculated Property
λgas 0.05 W/m×K 658.66 Calculated Property
λgas 0.06 W/m×K 743.99 Calculated Property
λgas 0.07 W/m×K 829.33 Calculated Property
λgas 0.08 W/m×K 914.66 Calculated Property
λgas 0.09 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.12; 0.09] W/m×K [231.98; 444.65] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is λliquid in W/m×K, T in K
Coefficient A5.44050e-02
Coefficient B-2.03550e+02
Coefficient C-5.04950e-01
Coefficient D-6.58180e-03
Coefficient E2.90950e-06
Temperature range, min.231.98
Temperature range, max.444.65
λliquid 0.12 W/m×K 231.98 Calculated Property
λliquid 0.12 W/m×K 255.61 Calculated Property
λliquid 0.11 W/m×K 279.24 Calculated Property
λliquid 0.11 W/m×K 302.87 Calculated Property
λliquid 0.11 W/m×K 326.50 Calculated Property
λliquid 0.10 W/m×K 350.13 Calculated Property
λliquid 0.10 W/m×K 373.76 Calculated Property
λliquid 0.10 W/m×K 397.39 Calculated Property
λliquid 0.09 W/m×K 421.02 Calculated Property
λliquid 0.09 W/m×K 444.65 Calculated Property

Similar Compounds

trans-1,4-Di-tert-butyl-cyclohexane. cis-1,4-Di-tert-butyl-cyclohexane. Cyclohexane, 1-(1,1-dimethylethyl)-4-methyl-, cis. Cyclohexane, 1-(1,1-dimethylethyl)-4-methyl-, trans. Cyclohexane, 1-(1,1-dimethylethyl)-4-methyl-. cis-4a-Methyl-decahydronaphthalene. trans-4a-Methyl-decahydronaphthalene. Cyclohexane, 1,1'-(1-methylethylidene)bis-. Naphthalene, 1-(1,1-dimethylethyl)decahydro-. Cyclohexane, (1,1-dimethylpropyl)-. Nonane, 2,2,3-trimethyl-. Decane, 2,2,3-trimethyl-. Cyclohexane, 1,1,2-trimethyl-. Heptane, 2,2,3-trimethyl-. Cyclopentane, (1,1-dimethylethyl)-.

Find more compounds similar to Cyclohexane, (1,1-dimethylethyl)-.

Mixtures

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