Chemical Properties of Pentane, 2,2,4,4-tetramethyl- (CAS 1070-87-7)

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

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InChI
InChI=1S/C9H20/c1-8(2,3)7-9(4,5)6/h7H2,1-6H3
InChI Key
GUMULFRCHLJNDY-UHFFFAOYSA-N
Formula
C9H20
SMILES
CC(C)(C)CC(C)(C)C
Molecular Weight1
128.26
CAS
1070-87-7
Other Names
  • 2,2,4,4-Tetramethylpentane
  • DI-TERT-BUTYLMETHANE
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Physical Properties

Property Value Unit Source
ω 0.3120 KDB
AP 348.150 K KDB
Δcliquid [-6119.90; -6117.80] kJ/mol Show Hide
Δcliquid -6117.80 kJ/mol NIST
Δcliquid -6118.70 kJ/mol NIST
Δcliquid -6119.90 ± 1.30 kJ/mol NIST
Δf 34.04 kJ/mol KDB
Δc,grossH 6119.90 kJ/mol KDB
Δc,netH 5679.780 kJ/mol KDB
Δfgas [-242.10; -241.50] kJ/mol Show Hide
Δfgas -242.10 kJ/mol KDB
Δfgas -241.50 ± 1.50 kJ/mol NIST
Δfus 4.24 kJ/mol Joback Calculated Property
Δvap [38.20; 38.55] kJ/mol Show Hide
Δvap 38.55 kJ/mol NIST
Δvap 38.50 ± 0.10 kJ/mol NIST
Δvap 38.50 ± 0.30 kJ/mol NIST
Δvap 38.50 ± 0.30 kJ/mol NIST
Δvap 38.20 kJ/mol NIST
log10WS -3.11 Crippen Calculated Property
logPoct/wat 3.469 Crippen Calculated Property
McVol 137.670 ml/mol McGowan Calculated Property
Pc [2485.00; 2490.00] kPa Show Hide
Pc 2490.00 kPa KDB
Pc 2490.00 ± 40.00 kPa NIST
Pc 2485.00 ± 10.00 kPa NIST
Inp [766.00; 820.80]   Show Hide
Inp 775.00 NIST
Inp 770.00 NIST
Inp 769.00 NIST
Inp 774.00 NIST
Inp 779.00 NIST
Inp 772.30 NIST
Inp Outlier 819.40 NIST
Inp 776.90 NIST
Inp Outlier 820.80 NIST
Inp 766.00 NIST
Inp 769.00 NIST
Inp 771.00 NIST
Inp 774.00 NIST
Inp 776.00 NIST
Inp 779.00 NIST
Inp 774.00 NIST
Inp 774.00 NIST
Inp 774.00 NIST
Inp 774.60 NIST
Inp 773.00 NIST
Inp 776.00 NIST
Inp 766.00 NIST
Inp 769.00 NIST
Inp 770.00 NIST
Inp 772.00 NIST
Inp 774.00 NIST
Inp 773.00 NIST
Inp 768.00 NIST
Inp 775.00 NIST
Inp 769.00 NIST
Inp 773.00 NIST
Inp 777.00 NIST
Inp 766.00 NIST
Inp 770.00 NIST
Inp 773.00 NIST
Inp 766.00 NIST
Inp 773.00 NIST
Inp 775.00 NIST
Inp 773.00 NIST
Inp 775.00 NIST
Inp 775.00 NIST
Inp 766.00 NIST
Inp 773.00 NIST
Inp 775.00 NIST
Inp 772.30 NIST
Inp 769.00 NIST
Inp 774.00 NIST
Inp 776.00 NIST
Inp 773.00 NIST
gas 430.16 J/mol×K NIST
liquid 331.80 J/mol×K NIST
Tboil 395.44 K KDB
Tc [574.60; 574.65] K Show Hide
Tc 574.60 K KDB
Tc 574.60 ± 0.50 K NIST
Tc 574.65 ± 0.10 K NIST
Tfus [206.15; 208.15] K Show Hide
Tfus 206.61 K KDB
Tfus 208.15 ± 2.00 K NIST
Tfus 207.95 ± 0.60 K NIST
Tfus 206.61 ± 0.06 K NIST
Tfus 206.61 ± 0.06 K NIST
Tfus 206.55 ± 0.15 K NIST
Tfus 206.15 ± 0.30 K NIST
Ttriple 206.61 ± 0.02 K NIST
Vc 0.504 m3/kmol KDB
Zc 0.2626800 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [275.15; 365.94] J/mol×K [398.86; 583.86] Show Hide
Cp,gas 275.15 J/mol×K 398.86 Joback Calculated Property
Cp,gas 292.52 J/mol×K 429.69 Joback Calculated Property
Cp,gas 308.94 J/mol×K 460.53 Joback Calculated Property
Cp,gas 324.44 J/mol×K 491.36 Joback Calculated Property
Cp,gas 339.09 J/mol×K 522.19 Joback Calculated Property
Cp,gas 352.90 J/mol×K 553.03 Joback Calculated Property
Cp,gas 365.94 J/mol×K 583.86 Joback Calculated Property
Cp,liquid 266.30 J/mol×K 298.15 NIST
η [0.0002923; 0.0205234] Pa×s [196.03; 398.86] Show Hide
η 0.0205234 Pa×s 196.03 Joback Calculated Property
η 0.0060005 Pa×s 229.84 Joback Calculated Property
η 0.0024048 Pa×s 263.64 Joback Calculated Property
η 0.0011864 Pa×s 297.44 Joback Calculated Property
η 0.0006761 Pa×s 331.25 Joback Calculated Property
η 0.0004276 Pa×s 365.06 Joback Calculated Property
η 0.0002923 Pa×s 398.86 Joback Calculated Property
ΔfusH [9.74; 9.75] kJ/mol [206.61; 206.70] Show Hide
ΔfusH 9.74 kJ/mol 206.61 NIST
ΔfusH 9.75 kJ/mol 206.70 NIST
ΔfusH 9.75 kJ/mol 206.70 NIST
ΔvapH [32.51; 37.20] kJ/mol [353.00; 398.50] Show Hide
ΔvapH 36.50 kJ/mol 353.00 NIST
ΔvapH 37.20 kJ/mol 355.00 NIST
ΔvapH 32.84 kJ/mol 395.40 KDB
ΔvapH 32.51 kJ/mol 395.50 NIST
ΔvapH 34.80 kJ/mol 398.50 NIST
n0 1.40459 298.15 KDB
ρl 719.00 kg/m3 293.00 KDB
ΔfusS 47.16 J/mol×K 206.61 NIST
γ 0.02 N/m 298.20 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [285.00; 423.28] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.40474e+01
Coefficient B-3.30866e+03
Coefficient C-4.45400e+01
Temperature range, min.285.00
Temperature range, max.423.28
Pvap 1.33 kPa 285.00 Calculated Property
Pvap 3.05 kPa 300.36 Calculated Property
Pvap 6.34 kPa 315.73 Calculated Property
Pvap 12.19 kPa 331.09 Calculated Property
Pvap 21.95 kPa 346.46 Calculated Property
Pvap 37.31 kPa 361.82 Calculated Property
Pvap 60.40 kPa 377.19 Calculated Property
Pvap 93.70 kPa 392.55 Calculated Property
Pvap 140.06 kPa 407.92 Calculated Property
Pvap 202.64 kPa 423.28 Calculated Property
Pvap [1.75e-03; 2339.65] kPa [206.95; 571.35] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.55763e+01
Coefficient B-7.01322e+03
Coefficient C-9.05593e+00
Coefficient D5.95333e-06
Temperature range, min.206.95
Temperature range, max.571.35
Pvap 1.75e-03 kPa 206.95 Calculated Property
Pvap 0.10 kPa 247.44 Calculated Property
Pvap 1.54 kPa 287.93 Calculated Property
Pvap 10.93 kPa 328.42 Calculated Property
Pvap 47.00 kPa 368.91 Calculated Property
Pvap 144.72 kPa 409.39 Calculated Property
Pvap 354.11 kPa 449.88 Calculated Property
Pvap 737.30 kPa 490.37 Calculated Property
Pvap 1368.54 kPa 530.86 Calculated Property
Pvap 2339.65 kPa 571.35 Calculated Property

Similar Compounds

1,3,5,7-Tetramethyl-adamantane. Tri-t-butylmethane. Pentane, 2,2,4-trimethyl-. Cyclopropane, 1,1,2,2-tetramethyl-. 2-Pentanone, 4,4-dimethyl-. Pentane, 2,2-dimethyl-. Hexane, 2,2,4,4-tetramethyl-. Hexane, 2,2,5,5-tetramethyl-. 2,2,6,6-Tetramethylheptane. 1,3-Dimethylbicyclo[1.1.0]butane. Hexane, 2,2-dimethyl-. Pentane, 2,2,3,3-tetramethyl-. 2,2,7,7-Tetramethyloctane. Pentane, 2,2,3,4,4-pentamethyl-. Pentane, 3,3-dimethyl-.

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

Sources

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