Chemical Properties of Cyclopentane, (1-methylethyl)- (CAS 3875-51-2)

Cyclopentane, (1-methylethyl)-

InChI
InChI=1S/C8H16/c1-7(2)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3
InChI Key
TVSBRLGQVHJIKT-UHFFFAOYSA-N
Formula
C8H16
SMILES
CC(C)C1CCCC1
Molecular Weight1
112.21
CAS
3875-51-2
Other Names
  • (1-METHYLETHYL)CYCLOPENTANE
  • 2-CYCLOPENTYLPROPANE
  • Cyclopentane, isopropyl-
  • Isopropylcyclopentane
  • Propane, 2-cyclopentyl-
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Physical Properties

Property Value Unit Source
ω [0.2400; 0.3030]   Show Hide
ω 0.2400 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω 0.2400 Passut and Danner (1973), critical constants and acentric factors Compiled value
ω 0.3030 ChemSep v8.3 pure component data Compiled value
ω 0.2400 KDB
μ 0.00 debye ChemSep v8.3 pure component data Compiled value
ΔfG° 53.05 kJ/mol ChemSep v8.3 pure component data Compiled value
Δc,grossH 5246.32 kJ/mol KDB
Δc,netH 4894.444 kJ/mol KDB
ΔfH°gas -150.71 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfusH° 6.89 kJ/mol Joback Calculated Property
ΔvapH° [37.90; 39.48] kJ/mol Show Hide
ΔvapH° 39.48 kJ/mol NIST
ΔvapH° 37.90 kJ/mol NIST
ΔvapH° 39.40 ± 0.10 kJ/mol NIST
IE 9.55 eV Relay (1.0) Calculated Property
logPoct/wat 2.833 Crippen Calculated Property
McVol 112.720 ml/mol McGowan Calculated Property
Pc [2999.22; 3000.00] kPa Show Hide
Pc 2999.22 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc 2999.22 kPa Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc 3000.00 kPa ChemSep v8.3 pure component data Compiled value
Pc 3000.00 kPa KDB
Ptriple 9.82e-07 kPa ChemSep v8.3 pure component data Compiled value
Inp [804.00; 838.00]   Show Hide
Inp 810.10 NIST
Inp 806.00 NIST
Inp 812.10 NIST
Inp 817.00 NIST
Inp 832.20 NIST
Inp 834.10 NIST
Inp 812.00 NIST
Inp 810.40 NIST
Inp 810.80 NIST
Inp 817.60 NIST
Inp 818.30 NIST
Inp 818.00 NIST
Inp 825.00 NIST
Inp 815.00 NIST
Inp 820.00 NIST
Inp 830.00 NIST
Inp 833.00 NIST
Inp Outlier 835.00 NIST
Inp Outlier 838.00 NIST
Inp Outlier 835.00 NIST
Inp Outlier 837.00 NIST
Inp 812.00 NIST
Inp 817.00 NIST
Inp 810.00 NIST
Inp 814.00 NIST
Inp 815.00 NIST
Inp 818.00 NIST
Inp 821.00 NIST
Inp 812.20 NIST
Inp 810.00 NIST
Inp Outlier 835.00 NIST
Inp 807.00 NIST
Inp 812.00 NIST
Inp 817.00 NIST
Inp 822.00 NIST
Inp 829.00 NIST
Inp 810.10 NIST
Inp 806.06 NIST
Inp 809.20 NIST
Inp 807.00 NIST
Inp 812.00 NIST
Inp 824.00 NIST
Inp 809.00 NIST
Inp 816.00 NIST
Inp 807.00 NIST
Inp 812.00 NIST
Inp 804.00 NIST
Inp 812.20 NIST
Inp 814.20 NIST
Inp 817.00 NIST
Inp 819.20 NIST
Inp 821.00 NIST
Inp 822.60 NIST
Inp 812.00 NIST
Inp 814.00 NIST
Inp 816.00 NIST
Inp 819.00 NIST
Inp 821.00 NIST
Inp 822.00 NIST
Inp 806.00 NIST
Inp 812.00 NIST
Inp 808.00 NIST
Inp 810.00 NIST
Inp 812.00 NIST
Inp 829.00 NIST
Tboil [399.55; 400.10] K Show Hide
Tboil 399.58 K ChemSep v8.3 pure component data Compiled value
Tboil 399.60 K KDB
Tboil 399.60 K NIST
Tboil 399.60 K NIST
Tboil Outlier 400.10 ± 1.00 K NIST
Tboil 399.57 ± 1.00 K NIST
Tboil 399.57 ± 1.00 K NIST
Tboil 399.55 ± 0.50 K NIST
Tboil 399.70 ± 0.40 K NIST
Tboil 399.56 ± 0.02 K NIST
Tboil 399.90 ± 2.00 K NIST
Tboil 399.55 ± 0.30 K NIST
Tboil 399.55 ± 0.30 K NIST
Tboil 399.56 ± 0.01 K NIST
Tboil 399.60 ± 1.50 K NIST
Tboil 399.60 ± 2.00 K NIST
Tboil 399.55 ± 0.20 K NIST
Tc [600.93; 601.00] K Show Hide
Tc 601.00 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc 600.93 K Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc 601.00 K ChemSep v8.3 pure component data Compiled value
Tc 601.00 K KDB
Tfus [160.00; 161.95] K Show Hide
Tfus 161.95 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 161.79 K ChemSep v8.3 pure component data Compiled value
Tfus 160.50 K KDB
Tfus Outlier 160.00 ± 3.00 K NIST
Tfus 161.77 ± 0.04 K NIST
Tfus 161.62 ± 0.20 K NIST
Tfus 161.68 ± 0.01 K NIST
Tfus 161.45 ± 1.00 K NIST
Tfus 161.50 ± 4.00 K NIST
Tfus 161.45 ± 0.20 K NIST
Ttriple 161.79 K ChemSep v8.3 pure component data Compiled value
UQi 4.31 ChemSep v8.3 pure component data Compiled value
URi 5.39 ChemSep v8.3 pure component data Compiled value
Vc [0.422; 0.426] m3/kmol Show Hide
Vc 0.426 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc 0.422 m3/kmol ChemSep v8.3 pure component data Compiled value
Zc 0.2590000 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
ΔvapH [33.56; 37.90] kJ/mol [361.50; 399.60] Show Hide
ΔvapH 37.90 kJ/mol 361.50 NIST
ΔvapH 33.56 kJ/mol 399.60 NIST
n0 1.42350 298.15 KDB
ρl 776.00 kg/m3 293.00 KDB

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [99.04; 460.73] J/mol×K [210.00; 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 A3.12910e+01
Coefficient B-3.92290e+02
Coefficient C5.97224e+00
Coefficient D5.79900e-04
Coefficient E-2.30260e-07
Temperature range, min.210.00
Temperature range, max.1500.00
Cp,gas 99.04 J/mol×K 210.00 Calculated Property
Cp,gas 185.47 J/mol×K 353.33 Calculated Property
Cp,gas 255.73 J/mol×K 496.67 Calculated Property
Cp,gas 311.66 J/mol×K 640.00 Calculated Property
Cp,gas 356.48 J/mol×K 783.33 Calculated Property
Cp,gas 392.18 J/mol×K 926.67 Calculated Property
Cp,gas 419.87 J/mol×K 1070.00 Calculated Property
Cp,gas 440.23 J/mol×K 1213.33 Calculated Property
Cp,gas 453.72 J/mol×K 1356.67 Calculated Property
Cp,gas 460.73 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [203.94; 304.72] J/mol×K [296.50; 444.75] 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 A7.73180e+01
Coefficient B-1.74750e+02
Coefficient C4.45224e+00
Coefficient D3.75000e-03
Coefficient E-1.51890e-06
Temperature range, min.296.50
Temperature range, max.444.75
Cp,liquid 203.94 J/mol×K 296.50 Calculated Property
Cp,liquid 214.15 J/mol×K 312.97 Calculated Property
Cp,liquid 224.60 J/mol×K 329.44 Calculated Property
Cp,liquid 235.30 J/mol×K 345.92 Calculated Property
Cp,liquid 246.25 J/mol×K 362.39 Calculated Property
Cp,liquid 257.45 J/mol×K 378.86 Calculated Property
Cp,liquid 268.90 J/mol×K 395.33 Calculated Property
Cp,liquid 280.60 J/mol×K 411.81 Calculated Property
Cp,liquid 292.54 J/mol×K 428.28 Calculated Property
Cp,liquid 304.72 J/mol×K 444.75 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0147056; 0.0001562] Pa×s [161.79; 480.80] 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-1.16370e+01
Coefficient B1.11620e+03
Coefficient C1.03940e-01
Coefficient D-3.92160e-07
Coefficient E2.00000e+00
Temperature range, min.161.79
Temperature range, max.480.80
η 0.0147056 Pa×s 161.79 Calculated Property
η 0.0043231 Pa×s 197.24 Calculated Property
η 0.0018461 Pa×s 232.68 Calculated Property
η 0.0009868 Pa×s 268.13 Calculated Property
η 0.0006099 Pa×s 303.57 Calculated Property
η 0.0004163 Pa×s 339.02 Calculated Property
η 0.0003050 Pa×s 374.46 Calculated Property
η 0.0002353 Pa×s 409.91 Calculated Property
η 0.0001889 Pa×s 445.35 Calculated Property
η 0.0001562 Pa×s 480.80 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [45.25; 10.04] kJ/mol [161.79; 593.00] 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 A5.80701e+01
Coefficient B1.42046e+00
Coefficient C-3.25700e+00
Coefficient D3.92318e+00
Coefficient E-1.68634e+00
Critical temperature, Tc (K)6.01000e+02
Temperature range, min.161.79
Temperature range, max.593.00
ΔvapH 45.25 kJ/mol 161.79 Calculated Property
ΔvapH 43.19 kJ/mol 209.70 Calculated Property
ΔvapH 41.22 kJ/mol 257.61 Calculated Property
ΔvapH 39.10 kJ/mol 305.53 Calculated Property
ΔvapH 36.65 kJ/mol 353.44 Calculated Property
ΔvapH 33.74 kJ/mol 401.35 Calculated Property
ΔvapH 30.26 kJ/mol 449.26 Calculated Property
ΔvapH 26.06 kJ/mol 497.18 Calculated Property
ΔvapH 20.64 kJ/mol 545.09 Calculated Property
ΔvapH 10.04 kJ/mol 593.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [290.39; 426.94] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.41783e+01
Coefficient B-3.34773e+03
Coefficient C-4.93890e+01
Temperature range, min.290.39
Temperature range, max.426.94
Pvap 1.33 kPa 290.39 Calculated Property
Pvap 3.03 kPa 305.56 Calculated Property
Pvap 6.30 kPa 320.73 Calculated Property
Pvap 12.11 kPa 335.91 Calculated Property
Pvap 21.80 kPa 351.08 Calculated Property
Pvap 37.08 kPa 366.25 Calculated Property
Pvap 60.09 kPa 381.42 Calculated Property
Pvap 93.36 kPa 396.60 Calculated Property
Pvap 139.79 kPa 411.77 Calculated Property
Pvap 202.63 kPa 426.94 Calculated Property
Pvap [8.86e-07; 2942.93] kPa [161.79; 593.00] 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 A6.38413e+01
Coefficient B-6.67151e+03
Coefficient C-7.20488e+00
Coefficient D3.98361e-06
Coefficient E2.00000e+00
Temperature range, min.161.79
Temperature range, max.593.00
Pvap 8.86e-07 kPa 161.79 Calculated Property
Pvap 1.81e-03 kPa 209.70 Calculated Property
Pvap 0.17 kPa 257.61 Calculated Property
Pvap 3.16 kPa 305.53 Calculated Property
Pvap 24.21 kPa 353.44 Calculated Property
Pvap 106.52 kPa 401.35 Calculated Property
Pvap 327.30 kPa 449.26 Calculated Property
Pvap 790.37 kPa 497.18 Calculated Property
Pvap 1616.54 kPa 545.09 Calculated Property
Pvap 2942.93 kPa 593.00 Calculated Property
Pvap [1.30; 2789.91] kPa [289.15; 595.38] 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 A7.44288e+01
Coefficient B-7.14690e+03
Coefficient C-8.79687e+00
Coefficient D4.83498e-06
Coefficient E0.00000e+00
Temperature range, min.289.15
Temperature range, max.595.38
Pvap 1.30 kPa 289.15 Calculated Property
Pvap 7.31 kPa 323.18 Calculated Property
Pvap 27.85 kPa 357.20 Calculated Property
Pvap 80.63 kPa 391.23 Calculated Property
Pvap 190.99 kPa 425.25 Calculated Property
Pvap 389.82 kPa 459.28 Calculated Property
Pvap 711.25 kPa 493.30 Calculated Property
Pvap 1191.53 kPa 527.33 Calculated Property
Pvap 1869.72 kPa 561.35 Calculated Property
Pvap 2789.91 kPa 595.38 Calculated Property
Pvap [6.40; 103.99] kPa [320.18; 400.54] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.38556e+01
Coefficient B-3.18526e+03
Coefficient C-5.47420e+01
ReferenceForziati, Norris, et al., 1949
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.320.18
Temperature range, max.400.54
Pvap 6.40 kPa 320.18 Calculated Property
Pvap 9.45 kPa 329.11 Calculated Property
Pvap 13.63 kPa 338.04 Calculated Property
Pvap 19.21 kPa 346.97 Calculated Property
Pvap 26.54 kPa 355.90 Calculated Property
Pvap 35.99 kPa 364.82 Calculated Property
Pvap 47.98 kPa 373.75 Calculated Property
Pvap 62.97 kPa 382.68 Calculated Property
Pvap 81.46 kPa 391.61 Calculated Property
Pvap 103.99 kPa 400.54 Calculated Property
Property Value Unit Temperature (K) Source
ρl [865.02; 316.83] kg/m3 [161.79; 593.00] 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 A2.24089e+00
Coefficient B4.84660e-02
Coefficient C6.01000e+02
Coefficient D1.04840e-01
Temperature range, min.161.79
Temperature range, max.593.00
ρl 865.02 kg/m3 161.79 Calculated Property
ρl 835.05 kg/m3 209.70 Calculated Property
ρl 802.83 kg/m3 257.61 Calculated Property
ρl 767.79 kg/m3 305.53 Calculated Property
ρl 729.15 kg/m3 353.44 Calculated Property
ρl 685.66 kg/m3 401.35 Calculated Property
ρl 635.18 kg/m3 449.26 Calculated Property
ρl 573.48 kg/m3 497.18 Calculated Property
ρl 489.57 kg/m3 545.09 Calculated Property
ρl 316.83 kg/m3 593.00 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.04; 9.32e-05] N/m [161.79; 593.00] 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-1.87730e-02
Coefficient B5.11950e-01
Coefficient C-2.59760e+00
Coefficient D-1.41300e-03
Coefficient E-1.52350e-06
Temperature range, min.161.79
Temperature range, max.593.00
γ 0.04 N/m 161.79 Calculated Property
γ 0.03 N/m 209.70 Calculated Property
γ 0.03 N/m 257.61 Calculated Property
γ 0.02 N/m 305.53 Calculated Property
γ 0.02 N/m 353.44 Calculated Property
γ 0.01 N/m 401.35 Calculated Property
γ 0.01 N/m 449.26 Calculated Property
γ 0.01 N/m 497.18 Calculated Property
γ 0.00 N/m 545.09 Calculated Property
γ 9.32e-05 N/m 593.00 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.00; 0.09] W/m×K [161.79; 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 A1.03360e-01
Coefficient B7.29130e-02
Coefficient C-4.74320e+02
Coefficient D1.33080e+06
Temperature range, min.161.79
Temperature range, max.1000.00
λgas 0.00 W/m×K 161.79 Calculated Property
λgas 0.01 W/m×K 254.92 Calculated Property
λgas 0.01 W/m×K 348.06 Calculated Property
λgas 0.02 W/m×K 441.19 Calculated Property
λgas 0.03 W/m×K 534.33 Calculated Property
λgas 0.05 W/m×K 627.46 Calculated Property
λgas 0.06 W/m×K 720.60 Calculated Property
λgas 0.07 W/m×K 813.73 Calculated Property
λgas 0.08 W/m×K 906.87 Calculated Property
λgas 0.09 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.14; 0.09] W/m×K [161.79; 399.58] 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 A-5.71290e-02
Coefficient B3.47040e+00
Coefficient C-1.52010e+00
Coefficient D-5.01930e-04
Coefficient E-1.14180e-06
Temperature range, min.161.79
Temperature range, max.399.58
λliquid 0.14 W/m×K 161.79 Calculated Property
λliquid 0.14 W/m×K 188.21 Calculated Property
λliquid 0.13 W/m×K 214.63 Calculated Property
λliquid 0.13 W/m×K 241.05 Calculated Property
λliquid 0.12 W/m×K 267.47 Calculated Property
λliquid 0.12 W/m×K 293.90 Calculated Property
λliquid 0.11 W/m×K 320.32 Calculated Property
λliquid 0.10 W/m×K 346.74 Calculated Property
λliquid 0.10 W/m×K 373.16 Calculated Property
λliquid 0.09 W/m×K 399.58 Calculated Property

Similar Compounds

Cyclopentane, 1-methyl-2-(4-methylpentyl)-, trans-. Cyclopentane, (1-methylbutyl)-. Cyclopentane, 1-methylpentyl. Cyclopentane, (1-methylpropyl)-. cis-1-butyl-2-methylcyclopentane. 1-Methyl-3-(1-methylethyl)cyclopentane, isomer # 1. Cyclopentane, 1-methyl-3-(1-methylethyl)-. 1-Ethyl-2-(4-methylpentyl)cyclopentane. Cyclopentane, 1-methyl-2-pentyl, trans. 1-Methyl-3-(1-methylethyl)cyclopentane, isomer # 2. Cyclopentane, 1-butyl-2-methyl. trans-1-butyl-2-methylcyclopentane. Cyclopentane, 1-methyl-2-pentyl, cis. 1-trans-3-methylisopropylcyclopentane. 1-methyl-3-isopropylcyclopentane, cis, trans.

Find more compounds similar to Cyclopentane, (1-methylethyl)-.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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