Chemical Properties of Pentane, 2,3,3,4-tetramethyl- (CAS 16747-38-9)

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

InChI
InChI=1S/C9H20/c1-7(2)9(5,6)8(3)4/h7-8H,1-6H3
InChI Key
JLCYYQOQSAMWTA-UHFFFAOYSA-N
Formula
C9H20
SMILES
CC(C)C(C)(C)C(C)C
Molecular Weight1
128.26
CAS
16747-38-9
Other Names
  • 2,3,3,4-Tetramethylpentane
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Physical Properties

Property Value Unit Source
ω [0.2994; 0.3130]   Show Hide
ω 0.3100 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω 0.2994 Passut and Danner (1973), critical constants and acentric factors Compiled value
ω 0.3130 ChemSep v8.3 pure component data Compiled value
ω 0.3130 KDB
ΔcH°liquid -6121.90 ± 1.60 kJ/mol NIST
μ 0.00 debye ChemSep v8.3 pure component data Compiled value
ΔfG° [34.12; 38.00] kJ/mol Show Hide
ΔfG° 38.00 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfG° 34.12 kJ/mol KDB
Δc,grossH 6121.95 kJ/mol KDB
Δc,netH 5681.830 kJ/mol KDB
ΔfH°gas [-236.40; -236.10] kJ/mol Show Hide
ΔfH°gas -236.10 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas -236.40 kJ/mol KDB
ΔfusH° 4.61 kJ/mol Joback Calculated Property
ΔvapH° 41.80 kJ/mol NIST
log10WS -4.87 Relay (1.0) Calculated Property
logPoct/wat 3.325 Crippen Calculated Property
McVol 137.670 ml/mol McGowan Calculated Property
Pc [2670.00; 2720.00] kPa Show Hide
Pc 2720.00 kPa IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Pc 2719.56 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc 2695.85 kPa Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc Outlier 2670.00 kPa ChemSep v8.3 pure component data Compiled value
Pc 2720.00 kPa KDB
Pc 2720.00 ± 40.00 kPa NIST
Pc 2716.00 ± 20.00 kPa NIST
Ptriple 8.96e-07 kPa ChemSep v8.3 pure component data Compiled value
Inp [851.00; 870.00]   Show Hide
Inp 861.00 NIST
Inp 852.00 NIST
Inp 857.90 NIST
Inp 864.20 NIST
Inp 854.50 NIST
Inp 854.70 NIST
Inp 861.00 NIST
Inp 861.10 NIST
Inp 860.90 NIST
Inp 858.00 NIST
Inp 863.00 NIST
Inp 858.90 NIST
Inp 861.00 NIST
Inp 854.00 NIST
Inp 859.00 NIST
Inp 865.00 NIST
Inp Outlier 870.00 NIST
Inp 851.00 NIST
Inp 856.00 NIST
Inp 858.00 NIST
Inp 861.00 NIST
Inp 861.00 NIST
Inp 851.00 NIST
Inp 858.00 NIST
Tboil [405.00; 414.72] K Show Hide
Tboil 414.71 K ChemSep v8.3 pure component data Compiled value
Tboil 414.72 K KDB
Tboil 414.70 K NIST
Tboil 414.70 ± 0.03 K NIST
Tboil 414.55 ± 0.40 K NIST
Tboil 414.35 ± 0.50 K NIST
Tboil 414.69 ± 0.10 K NIST
Tboil 414.55 ± 0.50 K NIST
Tboil 414.69 ± 0.20 K NIST
Tboil Outlier 405.00 ± 1.50 K NIST
Tc [607.10; 609.04] K Show Hide
Tc 607.50 K IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Tc 607.50 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc Outlier 609.04 K Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc 607.10 K ChemSep v8.3 pure component data Compiled value
Tc 607.50 K KDB
Tc 607.50 ± 0.50 K NIST
Tc 607.55 ± 0.20 K NIST
Tfus [171.00; 171.10] K Show Hide
Tfus 171.10 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 171.05 K ChemSep v8.3 pure component data Compiled value
Tfus 171.00 K KDB
Tfus 171.01 ± 0.10 K NIST
Tfus 171.02 ± 0.02 K NIST
Tfus 171.02 ± 0.05 K NIST
Ttriple 171.03 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 [0.487; 0.493] m3/kmol Show Hide
Vc 0.487 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc 0.493 m3/kmol ChemSep v8.3 pure component data Compiled value
Zc 0.2610000 ChemSep v8.3 pure component data Compiled value
Zra 0.26 ChemSep v8.3 pure component data Compiled value

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH [34.94; 39.30] kJ/mol [373.50; 414.70] Show Hide
ΔvapH 39.30 kJ/mol 373.50 NIST
ΔvapH 34.94 kJ/mol 414.70 KDB
n0 1.42003 298.15 KDB
ρl 755.00 kg/m3 293.00 KDB
γ 0.02 N/m 298.20 KDB

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [140.67; 602.41] J/mol×K [200.00; 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 A5.08110e+01
Coefficient B-3.38130e+02
Coefficient C6.08324e+00
Coefficient D5.62590e-04
Coefficient E-1.72840e-07
Temperature range, min.200.00
Temperature range, max.1500.00
Cp,gas 140.67 J/mol×K 200.00 Calculated Property
Cp,gas 246.17 J/mol×K 344.44 Calculated Property
Cp,gas 328.18 J/mol×K 488.89 Calculated Property
Cp,gas 393.33 J/mol×K 633.33 Calculated Property
Cp,gas 446.85 J/mol×K 777.78 Calculated Property
Cp,gas 491.54 J/mol×K 922.22 Calculated Property
Cp,gas 528.85 J/mol×K 1066.67 Calculated Property
Cp,gas 559.53 J/mol×K 1211.11 Calculated Property
Cp,gas 583.97 J/mol×K 1355.56 Calculated Property
Cp,gas 602.41 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [204.63; 359.56] J/mol×K [171.03; 414.70] 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 A6.14770e+01
Coefficient B2.06110e+01
Coefficient C4.17424e+00
Coefficient D4.16520e-03
Coefficient E-1.47630e-06
Temperature range, min.171.03
Temperature range, max.414.70
Cp,liquid 204.63 J/mol×K 171.03 Calculated Property
Cp,liquid 216.80 J/mol×K 198.10 Calculated Property
Cp,liquid 230.30 J/mol×K 225.18 Calculated Property
Cp,liquid 245.07 J/mol×K 252.25 Calculated Property
Cp,liquid 261.07 J/mol×K 279.33 Calculated Property
Cp,liquid 278.31 J/mol×K 306.40 Calculated Property
Cp,liquid 296.78 J/mol×K 333.48 Calculated Property
Cp,liquid 316.48 J/mol×K 360.55 Calculated Property
Cp,liquid 337.40 J/mol×K 387.63 Calculated Property
Cp,liquid 359.56 J/mol×K 414.70 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0233429; 0.0000748] Pa×s [171.03; 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-7.40980e+00
Coefficient B1.21700e+03
Coefficient C-6.71980e-01
Coefficient D-2.79040e-07
Coefficient E2.00000e+00
Temperature range, min.171.03
Temperature range, max.546.30
η 0.0233429 Pa×s 171.03 Calculated Property
η 0.0049752 Pa×s 212.73 Calculated Property
η 0.0017180 Pa×s 254.42 Calculated Property
η 0.0007860 Pa×s 296.12 Calculated Property
η 0.0004300 Pa×s 337.82 Calculated Property
η 0.0002655 Pa×s 379.51 Calculated Property
η 0.0001785 Pa×s 421.21 Calculated Property
η 0.0001278 Pa×s 462.91 Calculated Property
η 0.0000960 Pa×s 504.60 Calculated Property
η 0.0000748 Pa×s 546.30 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [47.19; 15.75] kJ/mol [171.03; 584.53] 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 A5.52070e+01
Coefficient B6.34650e-01
Coefficient C-8.20410e-01
Coefficient D1.01750e+00
Coefficient E-4.56040e-01
Critical temperature, Tc (K)6.07100e+02
Temperature range, min.171.03
Temperature range, max.584.53
ΔvapH 47.19 kJ/mol 171.03 Calculated Property
ΔvapH 45.23 kJ/mol 216.97 Calculated Property
ΔvapH 43.18 kJ/mol 262.92 Calculated Property
ΔvapH 40.94 kJ/mol 308.86 Calculated Property
ΔvapH 38.46 kJ/mol 354.81 Calculated Property
ΔvapH 35.65 kJ/mol 400.75 Calculated Property
ΔvapH 32.41 kJ/mol 446.70 Calculated Property
ΔvapH 28.55 kJ/mol 492.64 Calculated Property
ΔvapH 23.62 kJ/mol 538.59 Calculated Property
ΔvapH 15.75 kJ/mol 584.53 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [301.17; 443.29] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.40767e+01
Coefficient B-3.41898e+03
Coefficient C-5.32210e+01
Temperature range, min.301.17
Temperature range, max.443.29
Pvap 1.33 kPa 301.17 Calculated Property
Pvap 3.04 kPa 316.96 Calculated Property
Pvap 6.33 kPa 332.75 Calculated Property
Pvap 12.18 kPa 348.54 Calculated Property
Pvap 21.91 kPa 364.33 Calculated Property
Pvap 37.26 kPa 380.13 Calculated Property
Pvap 60.34 kPa 395.92 Calculated Property
Pvap 93.63 kPa 411.71 Calculated Property
Pvap 140.02 kPa 427.50 Calculated Property
Pvap 202.67 kPa 443.29 Calculated Property
Pvap [1.58e-06; 2704.46] kPa [171.03; 607.10] 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 A7.21392e+01
Coefficient B-7.20120e+03
Coefficient C-8.46770e+00
Coefficient D5.13320e-06
Coefficient E2.00000e+00
CommentRange stopped at Tc; ChemSep gives it to 607.5 K.
Temperature range, min.171.03
Temperature range, max.607.10
Pvap 1.58e-06 kPa 171.03 Calculated Property
Pvap 2.30e-03 kPa 219.48 Calculated Property
Pvap 0.18 kPa 267.93 Calculated Property
Pvap 3.14 kPa 316.39 Calculated Property
Pvap 22.87 kPa 364.84 Calculated Property
Pvap 97.64 kPa 413.29 Calculated Property
Pvap 295.47 kPa 461.74 Calculated Property
Pvap 710.85 kPa 510.20 Calculated Property
Pvap 1462.99 kPa 558.65 Calculated Property
Pvap 2704.46 kPa 607.10 Calculated Property
Pvap [1.32; 2717.64] kPa [300.15; 607.50] 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 A8.24133e+01
Coefficient B-7.67624e+03
Coefficient C-1.00145e+01
Coefficient D6.27762e-06
Coefficient E0.00000e+00
Temperature range, min.300.15
Temperature range, max.607.50
Pvap 1.32 kPa 300.15 Calculated Property
Pvap 7.01 kPa 334.30 Calculated Property
Pvap 25.86 kPa 368.45 Calculated Property
Pvap 73.51 kPa 402.60 Calculated Property
Pvap 172.93 kPa 436.75 Calculated Property
Pvap 353.58 kPa 470.90 Calculated Property
Pvap 650.96 kPa 505.05 Calculated Property
Pvap 1107.31 kPa 539.20 Calculated Property
Pvap 1774.29 kPa 573.35 Calculated Property
Pvap 2717.64 kPa 607.50 Calculated Property
Pvap [6.40; 104.01] kPa [332.16; 415.72] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.38076e+01
Coefficient B-3.28177e+03
Coefficient C-5.75680e+01
ReferenceForziati, Norris, et al., 1949, 2
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.332.16
Temperature range, max.415.72
Pvap 6.40 kPa 332.16 Calculated Property
Pvap 9.46 kPa 341.44 Calculated Property
Pvap 13.64 kPa 350.73 Calculated Property
Pvap 19.24 kPa 360.01 Calculated Property
Pvap 26.58 kPa 369.30 Calculated Property
Pvap 36.03 kPa 378.58 Calculated Property
Pvap 48.03 kPa 387.87 Calculated Property
Pvap 63.02 kPa 397.15 Calculated Property
Pvap 81.51 kPa 406.44 Calculated Property
Pvap 104.01 kPa 415.72 Calculated Property
Pvap [6.40; 104.01] kPa [332.16; 415.72] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.38076e+01
Coefficient B-3.28177e+03
Coefficient C-5.75680e+01
ReferenceForziati, Norris, et al., 1949
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.332.16
Temperature range, max.415.72
Pvap 6.40 kPa 332.16 Calculated Property
Pvap 9.46 kPa 341.44 Calculated Property
Pvap 13.64 kPa 350.73 Calculated Property
Pvap 19.24 kPa 360.01 Calculated Property
Pvap 26.58 kPa 369.30 Calculated Property
Pvap 36.03 kPa 378.58 Calculated Property
Pvap 48.03 kPa 387.87 Calculated Property
Pvap 63.02 kPa 397.15 Calculated Property
Pvap 81.51 kPa 406.44 Calculated Property
Pvap 104.01 kPa 415.72 Calculated Property
Property Value Unit Temperature (K) Source
ρl [838.18; 294.30] kg/m3 [171.03; 607.10] 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 A6.32285e+01
Coefficient B2.59270e-01
Coefficient C6.07510e+02
Coefficient D2.70030e-01
CommentRange stopped at Tc; ChemSep gives it to 607.5 K.
Temperature range, min.171.03
Temperature range, max.607.10
ρl 838.18 kg/m3 171.03 Calculated Property
ρl 806.43 kg/m3 219.48 Calculated Property
ρl 773.03 kg/m3 267.93 Calculated Property
ρl 737.55 kg/m3 316.39 Calculated Property
ρl 699.42 kg/m3 364.84 Calculated Property
ρl 657.70 kg/m3 413.29 Calculated Property
ρl 610.80 kg/m3 461.74 Calculated Property
ρl 555.50 kg/m3 510.20 Calculated Property
ρl 483.05 kg/m3 558.65 Calculated Property
ρl 294.30 kg/m3 607.10 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.03; 9.98e-04] N/m [171.03; 584.53] 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-1.53280e-02
Coefficient B1.43620e+01
Coefficient C-2.91820e+00
Coefficient D-5.25010e-04
Coefficient E-2.67640e-06
Temperature range, min.171.03
Temperature range, max.584.53
γ 0.03 N/m 171.03 Calculated Property
γ 0.03 N/m 216.97 Calculated Property
γ 0.03 N/m 262.92 Calculated Property
γ 0.02 N/m 308.86 Calculated Property
γ 0.02 N/m 354.81 Calculated Property
γ 0.01 N/m 400.75 Calculated Property
γ 0.01 N/m 446.70 Calculated Property
γ 0.01 N/m 492.64 Calculated Property
γ 0.00 N/m 538.59 Calculated Property
γ 9.98e-04 N/m 584.53 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.00; 0.10] W/m×K [171.03; 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 A3.55770e-05
Coefficient B1.16020e+00
Coefficient C-5.04240e+01
Coefficient D1.42790e+05
Temperature range, min.171.03
Temperature range, max.1000.00
λgas 0.00 W/m×K 171.03 Calculated Property
λgas 0.01 W/m×K 263.14 Calculated Property
λgas 0.02 W/m×K 355.25 Calculated Property
λgas 0.03 W/m×K 447.35 Calculated Property
λgas 0.04 W/m×K 539.46 Calculated Property
λgas 0.05 W/m×K 631.57 Calculated Property
λgas 0.06 W/m×K 723.68 Calculated Property
λgas 0.07 W/m×K 815.78 Calculated Property
λgas 0.09 W/m×K 907.89 Calculated Property
λgas 0.10 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.13; 0.09] W/m×K [171.03; 414.70] 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-5.86990e-02
Coefficient B3.56370e+00
Coefficient C-1.56480e+00
Coefficient D-4.79000e-04
Coefficient E-1.04690e-06
Temperature range, min.171.03
Temperature range, max.414.70
λliquid 0.13 W/m×K 171.03 Calculated Property
λliquid 0.13 W/m×K 198.10 Calculated Property
λliquid 0.12 W/m×K 225.18 Calculated Property
λliquid 0.12 W/m×K 252.25 Calculated Property
λliquid 0.11 W/m×K 279.33 Calculated Property
λliquid 0.11 W/m×K 306.40 Calculated Property
λliquid 0.10 W/m×K 333.48 Calculated Property
λliquid 0.10 W/m×K 360.55 Calculated Property
λliquid 0.09 W/m×K 387.63 Calculated Property
λliquid 0.09 W/m×K 414.70 Calculated Property

Similar Compounds

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

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

Sources

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