Chemical Properties of Pentane, 2,2,3,4-tetramethyl- (CAS 1186-53-4)

Pentane, 2,2,3,4-tetramethyl-

InChI
InChI=1S/C9H20/c1-7(2)8(3)9(4,5)6/h7-8H,1-6H3
InChI Key
VZFMYOCAEQDWDY-UHFFFAOYSA-N
Formula
C9H20
SMILES
CC(C)C(C)C(C)(C)C
Molecular Weight1
128.26
CAS
1186-53-4
Other Names
  • 2,2,3,4-Tetramethylpentane
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Physical Properties

Property Value Unit Source
ω [0.3010; 0.3130]   Show Hide
ω 0.3103 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω 0.3108 Passut and Danner (1973), critical constants and acentric factors Compiled value
ω 0.3010 ChemSep v8.3 pure component data Compiled value
ω 0.3130 KDB
ΔcH°liquid -6122.20 ± 1.20 kJ/mol NIST
μ 0.00 debye ChemSep v8.3 pure component data Compiled value
ΔfG° [32.64; 32.66] kJ/mol Show Hide
ΔfG° 32.64 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfG° 32.66 kJ/mol KDB
Δc,grossH 6122.20 kJ/mol KDB
Δc,netH 5682.082 kJ/mol KDB
ΔfH°gas [-237.36; -237.10] kJ/mol Show Hide
ΔfH°gas -237.36 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas -237.10 kJ/mol KDB
ΔfusH° 4.61 kJ/mol Joback Calculated Property
ΔvapH° 40.80 kJ/mol NIST
log10WS -4.93 Relay (1.0) Calculated Property
logPoct/wat 3.325 Crippen Calculated Property
McVol 137.670 ml/mol McGowan Calculated Property
Pc [2530.00; 2602.00] kPa Show Hide
Pc 2600.00 kPa IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Pc 2600.00 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc 2564.85 kPa Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc Outlier 2530.00 kPa ChemSep v8.3 pure component data Compiled value
Pc 2600.00 kPa KDB
Pc 2600.00 ± 40.00 kPa NIST
Pc 2602.00 ± 20.00 kPa NIST
Ptriple 5.36e-08 kPa ChemSep v8.3 pure component data Compiled value
Inp [814.00; 828.30]   Show Hide
Inp 822.00 NIST
Inp 814.00 NIST
Inp 819.40 NIST
Inp 824.80 NIST
Inp 819.90 NIST
Inp 820.00 NIST
Inp 827.80 NIST
Inp 827.80 NIST
Inp Outlier 828.30 NIST
Inp 822.00 NIST
Inp 821.90 NIST
Inp 820.00 NIST
Inp 824.00 NIST
Inp 815.00 NIST
Inp 817.00 NIST
Inp 818.00 NIST
Inp 820.00 NIST
Inp 822.00 NIST
Inp 820.10 NIST
Inp 822.00 NIST
Inp 816.00 NIST
Inp 820.00 NIST
Inp 825.00 NIST
Inp 825.00 NIST
Inp 816.60 NIST
Inp 820.00 NIST
Inp 816.00 NIST
Inp 820.00 NIST
Inp 815.00 NIST
Inp 818.00 NIST
Inp 821.00 NIST
Inp 820.00 NIST
Inp 822.00 NIST
Inp 822.00 NIST
Inp 820.00 NIST
Inp 816.00 NIST
Inp 825.00 NIST
Tboil [406.15; 406.20] K Show Hide
Tboil 406.18 K ChemSep v8.3 pure component data Compiled value
Tboil 406.18 K KDB
Tboil Outlier 406.20 K NIST
Tboil 406.15 ± 1.00 K NIST
Tboil 406.16 ± 0.03 K NIST
Tboil 406.15 ± 1.50 K NIST
Tboil 406.15 ± 0.50 K NIST
Tboil 406.16 ± 0.10 K NIST
Tboil 406.15 ± 0.40 K NIST
Tc [592.15; 592.70] K Show Hide
Tc 592.60 K IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Tc 592.60 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc Outlier 592.15 K Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc 592.70 K ChemSep v8.3 pure component data Compiled value
Tc 592.60 K KDB
Tc 592.60 ± 0.50 K NIST
Tc 592.65 ± 0.12 K NIST
Tfus [150.95; 152.15] K Show Hide
Tfus 152.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 152.06 K ChemSep v8.3 pure component data Compiled value
Tfus 152.06 K KDB
Tfus Outlier 150.95 ± 0.20 K NIST
Tfus 152.06 ± 0.08 K NIST
Tfus 152.06 ± 0.10 K NIST
Ttriple 152.06 K ChemSep v8.3 pure component data Compiled value
UQi 5.54 ChemSep v8.3 pure component data Compiled value
URi 6.52 ChemSep v8.3 pure component data Compiled value
Vc [0.490; 0.492] m3/kmol Show Hide
Vc 0.492 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc 0.490 m3/kmol ChemSep v8.3 pure component data Compiled value
Zc 0.2580000 ChemSep v8.3 pure component data Compiled value
Zra 0.26 ChemSep v8.3 pure component data Compiled value

Cheméo can also estimate Ionization energy 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 [34.27; 38.40] kJ/mol [369.00; 406.20] Show Hide
ΔvapH 38.40 kJ/mol 369.00 NIST
ΔvapH 34.27 kJ/mol 406.20 KDB
n0 1.41246 298.15 KDB
ρl 739.00 kg/m3 293.00 KDB
γ 0.02 N/m 298.20 KDB

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [109.26; 602.33] J/mol×K [150.00; 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 A8.39460e+01
Coefficient B-4.65160e+02
Coefficient C6.28524e+00
Coefficient D3.28000e-04
Coefficient E-9.61890e-08
Temperature range, min.150.00
Temperature range, max.1500.00
Cp,gas 109.26 J/mol×K 150.00 Calculated Property
Cp,gas 208.46 J/mol×K 300.00 Calculated Property
Cp,gas 300.90 J/mol×K 450.00 Calculated Property
Cp,gas 374.60 J/mol×K 600.00 Calculated Property
Cp,gas 433.59 J/mol×K 750.00 Calculated Property
Cp,gas 481.64 J/mol×K 900.00 Calculated Property
Cp,gas 521.23 J/mol×K 1050.00 Calculated Property
Cp,gas 553.93 J/mol×K 1200.00 Calculated Property
Cp,gas 580.74 J/mol×K 1350.00 Calculated Property
Cp,gas 602.33 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [199.15; 345.23] J/mol×K [152.06; 406.18] 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 A1.77720e+02
Coefficient B-5.03370e+01
Coefficient C1.43384e+00
Coefficient D1.50080e-02
Coefficient E-1.38490e-05
Temperature range, min.152.06
Temperature range, max.406.18
Cp,liquid 199.15 J/mol×K 152.06 Calculated Property
Cp,liquid 208.00 J/mol×K 180.30 Calculated Property
Cp,liquid 218.98 J/mol×K 208.53 Calculated Property
Cp,liquid 232.22 J/mol×K 236.77 Calculated Property
Cp,liquid 247.72 J/mol×K 265.00 Calculated Property
Cp,liquid 265.27 J/mol×K 293.24 Calculated Property
Cp,liquid 284.49 J/mol×K 321.47 Calculated Property
Cp,liquid 304.78 J/mol×K 349.71 Calculated Property
Cp,liquid 325.34 J/mol×K 377.94 Calculated Property
Cp,liquid 345.23 J/mol×K 406.18 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0614531; 0.0000755] Pa×s [152.06; 546.30] 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-8.18200e+00
Coefficient B1.24850e+03
Coefficient C-5.59880e-01
Coefficient D-2.19020e-07
Coefficient E2.00000e+00
Temperature range, min.152.06
Temperature range, max.546.30
η 0.0614531 Pa×s 152.06 Calculated Property
η 0.0084734 Pa×s 195.86 Calculated Property
η 0.0023507 Pa×s 239.67 Calculated Property
η 0.0009519 Pa×s 283.47 Calculated Property
η 0.0004843 Pa×s 327.28 Calculated Property
η 0.0002858 Pa×s 371.08 Calculated Property
η 0.0001868 Pa×s 414.89 Calculated Property
η 0.0001314 Pa×s 458.69 Calculated Property
η 0.0000976 Pa×s 502.50 Calculated Property
η 0.0000755 Pa×s 546.30 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [47.32; 1.97] kJ/mol [152.06; 592.60] 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 A5.77183e+01
Coefficient B1.01658e+00
Coefficient C-1.83513e+00
Coefficient D2.12911e+00
Coefficient E-9.21819e-01
Critical temperature, Tc (K)5.92700e+02
Temperature range, min.152.06
Temperature range, max.592.60
ΔvapH 47.32 kJ/mol 152.06 Calculated Property
ΔvapH 44.96 kJ/mol 201.01 Calculated Property
ΔvapH 42.65 kJ/mol 249.96 Calculated Property
ΔvapH 40.23 kJ/mol 298.91 Calculated Property
ΔvapH 37.54 kJ/mol 347.86 Calculated Property
ΔvapH 34.47 kJ/mol 396.80 Calculated Property
ΔvapH 30.88 kJ/mol 445.75 Calculated Property
ΔvapH 26.52 kJ/mol 494.70 Calculated Property
ΔvapH 20.61 kJ/mol 543.65 Calculated Property
ΔvapH 1.97 kJ/mol 592.60 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [292.90; 434.62] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.41481e+01
Coefficient B-3.45501e+03
Coefficient C-4.36320e+01
Temperature range, min.292.90
Temperature range, max.434.62
Pvap 1.33 kPa 292.90 Calculated Property
Pvap 3.04 kPa 308.65 Calculated Property
Pvap 6.31 kPa 324.39 Calculated Property
Pvap 12.13 kPa 340.14 Calculated Property
Pvap 21.83 kPa 355.89 Calculated Property
Pvap 37.14 kPa 371.63 Calculated Property
Pvap 60.17 kPa 387.38 Calculated Property
Pvap 93.45 kPa 403.13 Calculated Property
Pvap 139.87 kPa 418.87 Calculated Property
Pvap 202.66 kPa 434.62 Calculated Property
Pvap [1.97e-09; 2601.49] kPa [152.06; 592.60] 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 A1.30162e+02
Coefficient B-9.70050e+03
Coefficient C-1.72550e+01
Coefficient D1.20620e-05
Coefficient E2.00000e+00
Temperature range, min.152.06
Temperature range, max.592.60
Pvap 1.97e-09 kPa 152.06 Calculated Property
Pvap 1.10e-04 kPa 201.01 Calculated Property
Pvap 0.04 kPa 249.96 Calculated Property
Pvap 1.54 kPa 298.91 Calculated Property
Pvap 15.84 kPa 347.86 Calculated Property
Pvap 79.09 kPa 396.80 Calculated Property
Pvap 256.06 kPa 445.75 Calculated Property
Pvap 636.61 kPa 494.70 Calculated Property
Pvap 1348.44 kPa 543.65 Calculated Property
Pvap 2601.49 kPa 592.60 Calculated Property
Pvap [2.07e-08; 2599.72] kPa [152.06; 592.15] 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 A9.14194e+01
Coefficient B-7.88184e+03
Coefficient C-1.14363e+01
Coefficient D7.87343e-06
Coefficient E0.00000e+00
Temperature range, min.152.06
Temperature range, max.592.15
Pvap 2.07e-08 kPa 152.06 Calculated Property
Pvap 2.94e-04 kPa 200.96 Calculated Property
Pvap 0.06 kPa 249.86 Calculated Property
Pvap 1.75 kPa 298.76 Calculated Property
Pvap 16.18 kPa 347.66 Calculated Property
Pvap 78.31 kPa 396.55 Calculated Property
Pvap 253.87 kPa 445.45 Calculated Property
Pvap 637.60 kPa 494.35 Calculated Property
Pvap 1357.77 kPa 543.25 Calculated Property
Pvap 2599.72 kPa 592.15 Calculated Property
Pvap [6.41; 103.95] kPa [325.18; 407.17] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.37228e+01
Coefficient B-3.16950e+03
Coefficient C-5.80630e+01
ReferenceForziati, Norris, et al., 1949, 2
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.325.18
Temperature range, max.407.17
Pvap 6.41 kPa 325.18 Calculated Property
Pvap 9.47 kPa 334.29 Calculated Property
Pvap 13.67 kPa 343.40 Calculated Property
Pvap 19.27 kPa 352.51 Calculated Property
Pvap 26.62 kPa 361.62 Calculated Property
Pvap 36.08 kPa 370.73 Calculated Property
Pvap 48.08 kPa 379.84 Calculated Property
Pvap 63.06 kPa 388.95 Calculated Property
Pvap 81.51 kPa 398.06 Calculated Property
Pvap 103.95 kPa 407.17 Calculated Property
Pvap [6.41; 103.95] kPa [325.18; 407.17] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.37228e+01
Coefficient B-3.16950e+03
Coefficient C-5.80630e+01
ReferenceForziati, Norris, et al., 1949
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.325.18
Temperature range, max.407.17
Pvap 6.41 kPa 325.18 Calculated Property
Pvap 9.47 kPa 334.29 Calculated Property
Pvap 13.67 kPa 343.40 Calculated Property
Pvap 19.27 kPa 352.51 Calculated Property
Pvap 26.62 kPa 361.62 Calculated Property
Pvap 36.08 kPa 370.73 Calculated Property
Pvap 48.08 kPa 379.84 Calculated Property
Pvap 63.06 kPa 388.95 Calculated Property
Pvap 81.51 kPa 398.06 Calculated Property
Pvap 103.95 kPa 407.17 Calculated Property
Property Value Unit Temperature (K) Source
ρl [833.78; 264.52] kg/m3 [152.06; 592.60] 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 A5.50073e+01
Coefficient B2.44250e-01
Coefficient C5.92700e+02
Coefficient D2.49830e-01
Temperature range, min.152.06
Temperature range, max.592.60
ρl 833.78 kg/m3 152.06 Calculated Property
ρl 802.73 kg/m3 201.01 Calculated Property
ρl 769.95 kg/m3 249.96 Calculated Property
ρl 735.02 kg/m3 298.91 Calculated Property
ρl 697.32 kg/m3 347.86 Calculated Property
ρl 655.89 kg/m3 396.80 Calculated Property
ρl 609.05 kg/m3 445.75 Calculated Property
ρl 553.43 kg/m3 494.70 Calculated Property
ρl 479.80 kg/m3 543.65 Calculated Property
ρl 264.52 kg/m3 592.60 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.03; 8.16e-07] N/m [152.06; 589.52] 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-1.22960e-02
Coefficient B1.66700e+01
Coefficient C-3.02720e+00
Coefficient D-3.80990e-04
Coefficient E-3.38070e-06
CommentRange stopped where the equation turns negative; ChemSep gives it to 592.6 K.
Temperature range, min.152.06
Temperature range, max.589.52
γ 0.03 N/m 152.06 Calculated Property
γ 0.03 N/m 200.67 Calculated Property
γ 0.03 N/m 249.27 Calculated Property
γ 0.02 N/m 297.88 Calculated Property
γ 0.02 N/m 346.48 Calculated Property
γ 0.01 N/m 395.09 Calculated Property
γ 0.01 N/m 443.70 Calculated Property
γ 0.01 N/m 492.30 Calculated Property
γ 0.00 N/m 540.91 Calculated Property
γ 8.16e-07 N/m 589.52 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.00; 0.10] W/m×K [152.06; 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 A1.94080e-05
Coefficient B1.22620e+00
Coefficient C-1.98620e+02
Coefficient D1.59810e+05
Temperature range, min.152.06
Temperature range, max.1000.00
λgas 0.00 W/m×K 152.06 Calculated Property
λgas 0.01 W/m×K 246.28 Calculated Property
λgas 0.01 W/m×K 340.49 Calculated Property
λgas 0.02 W/m×K 434.71 Calculated Property
λgas 0.04 W/m×K 528.92 Calculated Property
λgas 0.05 W/m×K 623.14 Calculated Property
λgas 0.06 W/m×K 717.35 Calculated Property
λgas 0.07 W/m×K 811.57 Calculated Property
λgas 0.08 W/m×K 905.78 Calculated Property
λgas 0.10 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.13; 0.08] W/m×K [152.06; 406.18] 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-4.59240e-02
Coefficient B4.35530e+00
Coefficient C-1.65290e+00
Coefficient D-4.05880e-04
Coefficient E-1.38900e-06
Temperature range, min.152.06
Temperature range, max.406.18
λliquid 0.13 W/m×K 152.06 Calculated Property
λliquid 0.13 W/m×K 180.30 Calculated Property
λliquid 0.12 W/m×K 208.53 Calculated Property
λliquid 0.12 W/m×K 236.77 Calculated Property
λliquid 0.11 W/m×K 265.00 Calculated Property
λliquid 0.11 W/m×K 293.24 Calculated Property
λliquid 0.10 W/m×K 321.47 Calculated Property
λliquid 0.10 W/m×K 349.71 Calculated Property
λliquid 0.09 W/m×K 377.94 Calculated Property
λliquid 0.08 W/m×K 406.18 Calculated Property

Similar Compounds

Pentane, 2,2,3,3,4-pentamethyl-. Pentane, 2,3,3,4-tetramethyl-. Pentane, 2,2,3,4,4-pentamethyl-. pentane, 3-ethyl-2,2,4-trimethyl-. 2,4-dimethyl-2,3-isopropyl-pentane. Pentane, 2,3,4-trimethyl-. Pentane, 2,2,3-trimethyl-. Pentane, 2,4-dimethyl-3-(1-methylethyl)-. Pentane, 3-ethyl-2,2-dimethyl-. Hexane, 2,2,3,4-tetramethyl-. Hexane, 2,3,4,4-tetramethyl-. Hexane, 2,2,3,5-tetramethyl-. Hexane, 3,4-bis(1,1-dimethylethyl)-2,2,5,5-tetramethyl-. Pentane, 3-ethyl-2,3,4-trimethyl-. Pentane, 2,3,3-trimethyl-.

Find more compounds similar to Pentane, 2,2,3,4-tetramethyl-.

Sources

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