Chemical Properties of Cyclopentane, 1-ethyl-1-methyl- (CAS 16747-50-5)

Cyclopentane, 1-ethyl-1-methyl-

InChI
InChI=1S/C8H16/c1-3-8(2)6-4-5-7-8/h3-7H2,1-2H3
InChI Key
LETYIFNDQBJGPJ-UHFFFAOYSA-N
Formula
C8H16
SMILES
CCC1(C)CCCC1
Molecular Weight1
112.21
CAS
16747-50-5
Other Names
  • 1-Ethyl-1-methylcyclopentane
  • 1-Methyl-1-ethylcyclopentane
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Physical Properties

Property Value Unit Source
ω [0.2500; 0.3298]   Show Hide
ω 0.2503 Passut and Danner (1973), critical constants and acentric factors Compiled value
ω 0.3298 ChemSep v8.3 pure component data Compiled value
ω 0.2500 KDB
ΔcH°liquid -5240.96 ± 0.92 kJ/mol NIST
μ 0.00 debye ChemSep v8.3 pure component data Compiled value
ΔfG° 50.67 kJ/mol ChemSep v8.3 pure component data Compiled value
Δc,grossH 5242.55 kJ/mol KDB
Δc,netH 4890.260 kJ/mol KDB
ΔfH°gas -154.90 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°liquid -193.80 ± 1.00 kJ/mol NIST
ΔfusH° 4.11 kJ/mol Joback Calculated Property
ΔvapH° [38.80; 38.90] kJ/mol Show Hide
ΔvapH° 38.90 kJ/mol NIST
ΔvapH° 38.80 kJ/mol NIST
ΔvapH° 38.90 kJ/mol NIST
IE 9.34 eV Relay (1.0) Calculated Property
logPoct/wat 2.977 Crippen Calculated Property
McVol 112.720 ml/mol McGowan Calculated Property
Pc [2988.88; 3020.00] kPa Show Hide
Pc 2988.88 kPa Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc 3020.00 kPa ChemSep v8.3 pure component data Compiled value
Pc 3000.00 kPa KDB
Ptriple 2.17e-10 kPa ChemSep v8.3 pure component data Compiled value
Inp [780.00; 814.00]   Show Hide
Inp 793.00 NIST
Inp 796.00 NIST
Inp 805.00 NIST
Inp 793.10 NIST
Inp 797.90 NIST
Inp 794.00 NIST
Inp 794.30 NIST
Inp 794.60 NIST
Inp 796.10 NIST
Inp 807.00 NIST
Inp 797.00 NIST
Inp 802.00 NIST
Inp 793.00 NIST
Inp 796.00 NIST
Inp 797.00 NIST
Inp 799.00 NIST
Inp 802.00 NIST
Inp 793.00 NIST
Inp 793.00 NIST
Inp Outlier 814.00 NIST
Inp 808.00 NIST
Inp Outlier 780.00 NIST
Inp 788.80 NIST
Inp 789.00 NIST
Inp 792.80 NIST
Inp 785.82 NIST
Inp 786.23 NIST
Inp 790.00 NIST
Inp 793.00 NIST
Inp 805.00 NIST
Inp 791.00 NIST
Inp 798.00 NIST
Inp 791.00 NIST
Inp 796.00 NIST
Inp 789.00 NIST
Inp 792.00 NIST
Inp 793.40 NIST
Inp 794.90 NIST
Inp 797.00 NIST
Inp 798.70 NIST
Inp 800.10 NIST
Inp 801.40 NIST
Inp 793.00 NIST
Inp 795.00 NIST
Inp 798.00 NIST
Inp 800.00 NIST
Inp 801.00 NIST
Inp 803.00 NIST
Inp 789.00 NIST
Inp Outlier 814.00 NIST
Inp 788.00 NIST
Inp 805.00 NIST
Inp 794.30 NIST
Inp 797.00 NIST
Inp 799.00 NIST
Inp 789.00 NIST
Tboil [394.60; 395.00] K Show Hide
Tboil 394.67 K ChemSep v8.3 pure component data Compiled value
Tboil 394.70 K KDB
Tboil 394.70 K NIST
Tboil 394.65 ± 0.40 K NIST
Tboil 394.67 ± 0.20 K NIST
Tboil Outlier 395.00 ± 3.00 K NIST
Tboil 394.65 ± 0.50 K NIST
Tboil 394.67 ± 0.02 K NIST
Tboil 394.60 ± 0.15 K NIST
Tc [582.00; 592.04] K Show Hide
Tc 592.04 K Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc 582.00 K ChemSep v8.3 pure component data Compiled value
Tc 592.00 K KDB
Tc 592.00 K NIST
Tfus [129.25; 129.35] K Show Hide
Tfus 129.25 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 129.35 K ChemSep v8.3 pure component data Compiled value
Tfus 129.35 ± 0.10 K NIST
Ttriple 129.35 K ChemSep v8.3 pure component data Compiled value
UQi 4.40 ChemSep v8.3 pure component data Compiled value
URi 5.39 ChemSep v8.3 pure component data Compiled value
Vc 0.428 m3/kmol ChemSep v8.3 pure component data Compiled value
Zc 0.2670000 ChemSep v8.3 pure component data Compiled value
Zra 0.27 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,gas [202.60; 270.33] J/mol×K [383.15; 523.15] Show Hide
Cp,gas 202.60 ± 0.41 J/mol×K 383.15 NIST
Cp,gas 210.66 ± 0.42 J/mol×K 398.15 NIST
Cp,gas 223.08 ± 0.45 J/mol×K 423.15 NIST
Cp,gas 235.59 ± 0.47 J/mol×K 448.15 NIST
Cp,gas 247.63 ± 0.50 J/mol×K 473.15 NIST
Cp,gas 259.33 ± 0.52 J/mol×K 498.15 NIST
Cp,gas 270.33 ± 0.54 J/mol×K 523.15 NIST
ΔvapH [33.20; 40.20] kJ/mol [263.00; 394.70] Show Hide
ΔvapH 40.20 kJ/mol 263.00 NIST
ΔvapH 37.30 kJ/mol 356.00 NIST
ΔvapH 36.70 kJ/mol 364.00 NIST
ΔvapH 33.20 kJ/mol 394.70 NIST
n0 1.42476 298.15 KDB

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [90.36; 478.21] J/mol×K [152.00; 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 A8.09360e+01
Coefficient B-6.52600e+02
Coefficient C6.55624e+00
Coefficient D-1.31020e-04
Coefficient E2.66610e-08
Temperature range, min.152.00
Temperature range, max.1500.00
Cp,gas 90.36 J/mol×K 152.00 Calculated Property
Cp,gas 158.93 J/mol×K 301.78 Calculated Property
Cp,gas 238.10 J/mol×K 451.56 Calculated Property
Cp,gas 302.75 J/mol×K 601.33 Calculated Property
Cp,gas 352.45 J/mol×K 751.11 Calculated Property
Cp,gas 390.59 J/mol×K 900.89 Calculated Property
Cp,gas 420.24 J/mol×K 1050.67 Calculated Property
Cp,gas 443.70 J/mol×K 1200.44 Calculated Property
Cp,gas 462.63 J/mol×K 1350.22 Calculated Property
Cp,gas 478.21 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [217.53; 269.41] J/mol×K [298.15; 394.67] 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 A9.61110e+01
Coefficient B-5.90390e+01
Coefficient C3.25624e+00
Coefficient D7.84490e-03
Coefficient E-6.72670e-06
Temperature range, min.298.15
Temperature range, max.394.67
Cp,liquid 217.53 J/mol×K 298.15 Calculated Property
Cp,liquid 223.40 J/mol×K 308.87 Calculated Property
Cp,liquid 229.28 J/mol×K 319.60 Calculated Property
Cp,liquid 235.17 J/mol×K 330.32 Calculated Property
Cp,liquid 241.04 J/mol×K 341.05 Calculated Property
Cp,liquid 246.86 J/mol×K 351.77 Calculated Property
Cp,liquid 252.64 J/mol×K 362.50 Calculated Property
Cp,liquid 258.33 J/mol×K 373.22 Calculated Property
Cp,liquid 263.93 J/mol×K 383.95 Calculated Property
Cp,liquid 269.41 J/mol×K 394.67 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0819275; 0.0001716] Pa×s [129.35; 465.60] 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-1.07730e+01
Coefficient B1.09990e+03
Coefficient C-4.83430e-02
Coefficient D1.71070e-07
Coefficient E2.00000e+00
Temperature range, min.129.35
Temperature range, max.465.60
η 0.0819275 Pa×s 129.35 Calculated Property
η 0.0120590 Pa×s 166.71 Calculated Property
η 0.0035770 Pa×s 204.07 Calculated Property
η 0.0015453 Pa×s 241.43 Calculated Property
η 0.0008362 Pa×s 278.79 Calculated Property
η 0.0005234 Pa×s 316.16 Calculated Property
η 0.0003620 Pa×s 353.52 Calculated Property
η 0.0002688 Pa×s 390.88 Calculated Property
η 0.0002105 Pa×s 428.24 Calculated Property
η 0.0001716 Pa×s 465.60 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [46.96; 0.00] kJ/mol [129.35; 582.00] 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 A5.14848e+01
Coefficient B2.88357e-01
Coefficient C4.87845e-01
Coefficient D-6.69561e-01
Coefficient E2.36062e-01
Critical temperature, Tc (K)5.82000e+02
Temperature range, min.129.35
Temperature range, max.582.00
ΔvapH 46.96 kJ/mol 129.35 Calculated Property
ΔvapH 44.71 kJ/mol 179.64 Calculated Property
ΔvapH 42.30 kJ/mol 229.94 Calculated Property
ΔvapH 39.74 kJ/mol 280.23 Calculated Property
ΔvapH 37.03 kJ/mol 330.53 Calculated Property
ΔvapH 34.13 kJ/mol 380.82 Calculated Property
ΔvapH 30.90 kJ/mol 431.12 Calculated Property
ΔvapH 27.02 kJ/mol 481.41 Calculated Property
ΔvapH 21.58 kJ/mol 531.71 Calculated Property
ΔvapH 0.00 kJ/mol 582.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [284.74; 421.83] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.45909e+01
Coefficient B-3.62175e+03
Coefficient C-3.15290e+01
Temperature range, min.284.74
Temperature range, max.421.83
Pvap 1.33 kPa 284.74 Calculated Property
Pvap 3.00 kPa 299.97 Calculated Property
Pvap 6.19 kPa 315.20 Calculated Property
Pvap 11.87 kPa 330.44 Calculated Property
Pvap 21.37 kPa 345.67 Calculated Property
Pvap 36.41 kPa 360.90 Calculated Property
Pvap 59.21 kPa 376.13 Calculated Property
Pvap 92.38 kPa 391.37 Calculated Property
Pvap 139.03 kPa 406.60 Calculated Property
Pvap 202.66 kPa 421.83 Calculated Property
Pvap [1.92e-10; 2723.41] kPa [129.35; 582.00] 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 A6.33932e+01
Coefficient B-6.62827e+03
Coefficient C-7.11220e+00
Coefficient D3.49793e-06
Coefficient E2.00000e+00
CommentRange stopped at Tc; ChemSep gives it to 585 K.
Temperature range, min.129.35
Temperature range, max.582.00
Pvap 1.92e-10 kPa 129.35 Calculated Property
Pvap 3.33e-05 kPa 179.64 Calculated Property
Pvap 0.02 kPa 229.94 Calculated Property
Pvap 0.94 kPa 280.23 Calculated Property
Pvap 11.78 kPa 330.53 Calculated Property
Pvap 68.87 kPa 380.82 Calculated Property
Pvap 250.48 kPa 431.12 Calculated Property
Pvap 668.72 kPa 481.41 Calculated Property
Pvap 1449.89 kPa 531.71 Calculated Property
Pvap 2723.41 kPa 582.00 Calculated Property
Pvap [0.04; 2982.70] kPa [238.15; 592.00] 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 A7.43448e+01
Coefficient B-7.03824e+03
Coefficient C-8.81550e+00
Coefficient D5.18879e-06
Coefficient E0.00000e+00
Temperature range, min.238.15
Temperature range, max.592.00
Pvap 0.04 kPa 238.15 Calculated Property
Pvap 0.81 kPa 277.47 Calculated Property
Pvap 6.59 kPa 316.78 Calculated Property
Pvap 31.35 kPa 356.10 Calculated Property
Pvap 103.58 kPa 395.42 Calculated Property
Pvap 266.10 kPa 434.73 Calculated Property
Pvap 571.79 kPa 474.05 Calculated Property
Pvap 1080.18 kPa 513.37 Calculated Property
Pvap 1857.75 kPa 552.68 Calculated Property
Pvap 2982.70 kPa 592.00 Calculated Property
Pvap [0.04; 271.19] kPa [238.00; 435.29] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.39531e+01
Coefficient B-3.21196e+03
Coefficient C-5.06380e+01
ReferenceOsborn and Douslin, 1974
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.238.00
Temperature range, max.435.29
Pvap 0.04 kPa 238.00 Calculated Property
Pvap 0.25 kPa 259.92 Calculated Property
Pvap 1.06 kPa 281.84 Calculated Property
Pvap 3.54 kPa 303.76 Calculated Property
Pvap 9.73 kPa 325.68 Calculated Property
Pvap 23.04 kPa 347.61 Calculated Property
Pvap 48.46 kPa 369.53 Calculated Property
Pvap 92.63 kPa 391.45 Calculated Property
Pvap 163.72 kPa 413.37 Calculated Property
Pvap 271.19 kPa 435.29 Calculated Property
Pvap [6.41; 103.98] kPa [316.21; 395.63] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.37975e+01
Coefficient B-3.11458e+03
Coefficient C-5.53630e+01
ReferenceForziati, Norris, et al., 1949
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.316.21
Temperature range, max.395.63
Pvap 6.41 kPa 316.21 Calculated Property
Pvap 9.47 kPa 325.03 Calculated Property
Pvap 13.65 kPa 333.86 Calculated Property
Pvap 19.25 kPa 342.68 Calculated Property
Pvap 26.59 kPa 351.51 Calculated Property
Pvap 36.04 kPa 360.33 Calculated Property
Pvap 48.04 kPa 369.16 Calculated Property
Pvap 63.02 kPa 377.98 Calculated Property
Pvap 81.49 kPa 386.81 Calculated Property
Pvap 103.98 kPa 395.63 Calculated Property
Pvap [6.41; 103.98] kPa [316.21; 395.63] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.37975e+01
Coefficient B-3.11458e+03
Coefficient C-5.53630e+01
ReferenceForziati, Norris, et al., 1949, 2
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.316.21
Temperature range, max.395.63
Pvap 6.41 kPa 316.21 Calculated Property
Pvap 9.47 kPa 325.03 Calculated Property
Pvap 13.65 kPa 333.86 Calculated Property
Pvap 19.25 kPa 342.68 Calculated Property
Pvap 26.59 kPa 351.51 Calculated Property
Pvap 36.04 kPa 360.33 Calculated Property
Pvap 48.04 kPa 369.16 Calculated Property
Pvap 63.02 kPa 377.98 Calculated Property
Pvap 81.49 kPa 386.81 Calculated Property
Pvap 103.98 kPa 395.63 Calculated Property
Property Value Unit Temperature (K) Source
ρl [905.91; 263.69] kg/m3 [129.35; 582.00] 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 A7.00184e+01
Coefficient B2.65530e-01
Coefficient C5.82000e+02
Coefficient D2.85680e-01
Temperature range, min.129.35
Temperature range, max.582.00
ρl 905.91 kg/m3 129.35 Calculated Property
ρl 869.66 kg/m3 179.64 Calculated Property
ρl 831.67 kg/m3 229.94 Calculated Property
ρl 791.51 kg/m3 280.23 Calculated Property
ρl 748.57 kg/m3 330.53 Calculated Property
ρl 701.85 kg/m3 380.82 Calculated Property
ρl 649.69 kg/m3 431.12 Calculated Property
ρl 588.67 kg/m3 481.41 Calculated Property
ρl 509.58 kg/m3 531.71 Calculated Property
ρl 263.69 kg/m3 582.00 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.04; 3.66e-06] N/m [129.35; 577.47] 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-1.22740e-02
Coefficient B1.88840e+01
Coefficient C-2.91340e+00
Coefficient D-4.02430e-04
Coefficient E-3.85900e-06
CommentRange stopped where the equation turns negative; ChemSep gives it to 582 K.
Temperature range, min.129.35
Temperature range, max.577.47
γ 0.04 N/m 129.35 Calculated Property
γ 0.04 N/m 179.14 Calculated Property
γ 0.03 N/m 228.93 Calculated Property
γ 0.03 N/m 278.72 Calculated Property
γ 0.02 N/m 328.52 Calculated Property
γ 0.02 N/m 378.31 Calculated Property
γ 0.01 N/m 428.10 Calculated Property
γ 0.01 N/m 477.89 Calculated Property
γ 0.00 N/m 527.68 Calculated Property
γ 3.66e-06 N/m 577.47 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.00; 0.09] W/m×K [129.35; 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 A2.64620e-03
Coefficient B5.98020e-01
Coefficient C2.70850e+02
Coefficient D4.73470e+05
Temperature range, min.129.35
Temperature range, max.1000.00
λgas 0.00 W/m×K 129.35 Calculated Property
λgas 0.01 W/m×K 226.09 Calculated Property
λgas 0.01 W/m×K 322.83 Calculated Property
λgas 0.02 W/m×K 419.57 Calculated Property
λgas 0.03 W/m×K 516.31 Calculated Property
λgas 0.05 W/m×K 613.04 Calculated Property
λgas 0.06 W/m×K 709.78 Calculated Property
λgas 0.07 W/m×K 806.52 Calculated Property
λgas 0.08 W/m×K 903.26 Calculated Property
λgas 0.09 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.15; 0.09] W/m×K [129.35; 394.67] 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-3.30330e-03
Coefficient B9.43590e+00
Coefficient C-1.86460e+00
Coefficient D-2.70000e-04
Coefficient E-2.42580e-06
Temperature range, min.129.35
Temperature range, max.394.67
λliquid 0.15 W/m×K 129.35 Calculated Property
λliquid 0.14 W/m×K 158.83 Calculated Property
λliquid 0.14 W/m×K 188.31 Calculated Property
λliquid 0.13 W/m×K 217.79 Calculated Property
λliquid 0.13 W/m×K 247.27 Calculated Property
λliquid 0.12 W/m×K 276.75 Calculated Property
λliquid 0.11 W/m×K 306.23 Calculated Property
λliquid 0.11 W/m×K 335.71 Calculated Property
λliquid 0.10 W/m×K 365.19 Calculated Property
λliquid 0.09 W/m×K 394.67 Calculated Property

Similar Compounds

Cyclopentane, 1-butyl-1-methyl. Cyclopentane, 1-methyl-1-propyl-. Cyclopentane, 1-methyl-1-pentyl. Cyclopentane, 1,1-diethyl-. 3-Ethyl-3-methylheptane. 4-Ethyl-4-methyloctane. 5-ethyl-5-methylnonane. Heptane, 3,3-dimethyl-. 3-Ethyl-3-methylnonadecane. 5-Ethyl-5-methyltridecane. 3-Ethyl-3-methylpentadecane. 5-Ethyl-5-methyl-tricosane. 3-Ethyl-3-methyltridecane. 5-Ethyl-5-methylheptadecane. 3-Ethyl-3-methyl-undecane.

Find more compounds similar to Cyclopentane, 1-ethyl-1-methyl-.

Sources

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