Chemical Properties of Pentane, 2,3,4-trimethyl- (CAS 565-75-3)

Pentane, 2,3,4-trimethyl-

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InChI
InChI=1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3
InChI Key
RLPGDEORIPLBNF-UHFFFAOYSA-N
Formula
C8H18
SMILES
CC(C)C(C)C(C)C
Molecular Weight1
114.23
CAS
565-75-3
Other Names
  • (CH3)2CHCH(CH3)CH(CH3)2
  • 2,3,4-Trimethylpentane
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Physical Properties

Property Value Unit Source
ω 0.3150 KDB
AP 341.450 K KDB
Δcliquid -5465.50 ± 1.60 kJ/mol NIST
Δf 18.92 kJ/mol KDB
Δc,grossH 5465.48 kJ/mol KDB
Δc,netH 5069.335 kJ/mol KDB
Δfgas [-217.60; -217.40] kJ/mol Show Hide
Δfgas -217.60 kJ/mol KDB
Δfgas -217.40 ± 1.70 kJ/mol NIST
Δfliquid -255.20 ± 1.70 kJ/mol NIST
Δfus 5.91 kJ/mol Joback Calculated Property
Δvap [37.70; 37.82] kJ/mol Show Hide
Δvap 37.82 kJ/mol NIST
Δvap 37.70 ± 0.10 kJ/mol NIST
Δvap 37.70 kJ/mol NIST
Δvap 37.70 ± 0.10 kJ/mol NIST
Δvap 37.70 kJ/mol NIST
log10WS [-4.80; -4.80]   Show Hide
log10WS -4.80 Aq. Sol...
log10WS -4.80 Estimat...
logPoct/wat 2.934 Crippen Calculated Property
McVol 123.580 ml/mol McGowan Calculated Property
Pc [2729.80; 2730.00] kPa Show Hide
Pc 2730.00 kPa KDB
Pc 2730.00 ± 40.00 kPa NIST
Pc 2729.80 ± 40.53 kPa NIST
ρc [247.88; 247.88] kg/m3 Show Hide
ρc 247.88 ± 4.57 kg/m3 NIST
ρc 247.88 ± 4.57 kg/m3 NIST
Inp [743.00; 771.30]   Show Hide
Inp 747.10 NIST
Inp 750.20 NIST
Inp Outlier 765.10 NIST
Inp 743.00 NIST
Inp 745.00 NIST
Inp Outlier 765.60 NIST
Inp Outlier 771.30 NIST
Inp 749.00 NIST
Inp Outlier 764.20 NIST
Inp 743.00 NIST
Inp Outlier 765.00 NIST
Inp 752.00 NIST
Inp 748.00 NIST
Inp 750.00 NIST
Inp 754.00 NIST
Inp 751.60 NIST
Inp 755.05 NIST
Inp 748.40 NIST
Inp 749.80 NIST
Inp 751.20 NIST
Inp 752.70 NIST
Inp 747.00 NIST
Inp 748.00 NIST
Inp 749.00 NIST
Inp 750.00 NIST
Inp 752.00 NIST
Inp 754.00 NIST
Inp 748.30 NIST
Inp 749.60 NIST
Inp 751.00 NIST
Inp 752.50 NIST
Inp 754.00 NIST
Inp 755.60 NIST
Inp 751.90 NIST
Inp 751.90 NIST
Inp 750.00 NIST
Inp 750.00 NIST
Inp 750.00 NIST
Inp 748.20 NIST
Inp 749.70 NIST
Inp 751.30 NIST
Inp 752.90 NIST
Inp 754.60 NIST
Inp 756.40 NIST
Inp 747.70 NIST
Inp 748.30 NIST
Inp 749.30 NIST
Inp 750.10 NIST
Inp 751.10 NIST
Inp 752.00 NIST
Inp 755.00 NIST
Inp 756.00 NIST
Inp 754.00 NIST
Inp 754.00 NIST
Inp 754.00 NIST
Inp 755.50 NIST
Inp 752.00 NIST
Inp 755.00 NIST
Inp 750.00 NIST
Inp 750.00 NIST
Inp 752.00 NIST
Inp 752.00 NIST
Inp 748.00 NIST
Inp 750.00 NIST
Inp 751.00 NIST
Inp 752.00 NIST
Inp 754.00 NIST
Inp 752.50 NIST
Inp 754.00 NIST
Inp 748.00 NIST
Inp 758.00 NIST
Inp 751.00 NIST
Inp 749.00 NIST
Inp 752.00 NIST
Inp 755.00 NIST
Inp 757.00 NIST
Inp 750.50 NIST
Inp 753.00 NIST
Inp 750.00 NIST
Inp 752.00 NIST
Inp 756.00 NIST
Inp 751.00 NIST
Inp 754.00 NIST
Inp 756.00 NIST
Inp 743.00 NIST
Inp 753.00 NIST
Inp 746.70 NIST
Inp 752.00 NIST
Inp 759.00 NIST
Inp 743.63 NIST
Inp 747.60 NIST
Inp 744.80 NIST
Inp 748.00 NIST
Inp 745.00 NIST
Inp 743.00 NIST
Inp 757.70 NIST
Inp 748.00 NIST
Inp 748.00 NIST
Inp 752.00 NIST
Inp 749.00 NIST
Inp 752.00 NIST
Inp 759.00 NIST
Inp 755.00 NIST
Inp 746.00 NIST
Inp 752.00 NIST
Inp 750.00 NIST
Inp 749.00 NIST
Inp 751.00 NIST
Inp 750.00 NIST
Inp 757.00 NIST
Inp 752.00 NIST
Inp 754.00 NIST
Inp 754.00 NIST
Inp 748.00 NIST
Inp 746.00 NIST
Inp 746.00 NIST
Inp 743.00 NIST
Inp 744.00 NIST
Inp 743.00 NIST
Inp 744.00 NIST
Inp 750.00 NIST
Inp 761.00 NIST
Inp 760.00 NIST
Inp 761.00 NIST
Inp 760.00 NIST
Inp 759.00 NIST
Inp 745.00 NIST
gas 427.20 ± 1.30 J/mol×K NIST
liquid 329.32 J/mol×K NIST
Tboil 386.60 K KDB
Tc [566.30; 566.40] K Show Hide
Tc 566.40 K KDB
Tc 566.40 ± 0.50 K NIST
Tc 566.30 K NIST
Tc 566.34 ± 0.50 K NIST
Tfus [163.75; 163.90] K Show Hide
Tfus 163.90 K KDB
Tfus 163.75 K Aq. Sol...
Ttriple 163.63 ± 0.12 K NIST
Vc [0.460; 0.460] m3/kmol Show Hide
Vc 0.460 m3/kmol KDB
Vc 0.460 m3/kmol NIST
Zc 0.2666620 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [233.50; 304.96] J/mol×K [373.15; 523.15] Show Hide
Cp,gas 233.50 ± 0.47 J/mol×K 373.15 NIST
Cp,gas 246.46 ± 0.49 J/mol×K 398.15 NIST
Cp,gas 248.11 J/mol×K 402.80 NIST
Cp,gas 251.50 ± 2.50 J/mol×K 417.00 NIST
Cp,gas 258.52 ± 0.52 J/mol×K 423.15 NIST
Cp,gas 271.05 ± 0.54 J/mol×K 448.15 NIST
Cp,gas 276.98 J/mol×K 463.60 NIST
Cp,gas 283.03 ± 0.57 J/mol×K 473.15 NIST
Cp,gas 293.98 ± 0.59 J/mol×K 498.15 NIST
Cp,gas 303.34 J/mol×K 521.60 NIST
Cp,gas 304.96 ± 0.61 J/mol×K 523.15 NIST
Cp,liquid [246.23; 247.32] J/mol×K [293.79; 298.15] Show Hide
Cp,liquid 246.23 J/mol×K 293.79 NIST
Cp,liquid 247.32 J/mol×K 298.15 NIST
η [0.0002228; 0.0624902] Pa×s [134.92; 381.12] Show Hide
η 0.0624902 Pa×s 134.92 Joback Calculated Property
η 0.0081685 Pa×s 175.95 Joback Calculated Property
η 0.0023051 Pa×s 216.99 Joback Calculated Property
η 0.0009727 Pa×s 258.02 Joback Calculated Property
η 0.0005201 Pa×s 299.05 Joback Calculated Property
η 0.0003235 Pa×s 340.09 Joback Calculated Property
η 0.0002228 Pa×s 381.12 Joback Calculated Property
ΔfusH [9.27; 9.27] kJ/mol [163.60; 163.63] Show Hide
ΔfusH 9.27 kJ/mol 163.60 NIST
ΔfusH 9.27 kJ/mol 163.60 NIST
ΔfusH 9.27 kJ/mol 163.63 NIST
ΔvapH [32.36; 41.30] kJ/mol [250.50; 386.60] Show Hide
ΔvapH 39.80 kJ/mol 250.50 NIST
ΔvapH 39.10 kJ/mol 256.00 NIST
ΔvapH 41.30 kJ/mol 324.50 NIST
ΔvapH 37.70 kJ/mol 344.00 NIST
ΔvapH 36.70 kJ/mol 349.00 NIST
ΔvapH 32.36 kJ/mol 386.60 NIST
ΔvapH 32.73 kJ/mol 386.60 KDB
n0 1.40198 298.15 KDB
ρl 719.00 kg/m3 293.00 KDB
ΔfusS 56.64 J/mol×K 163.63 NIST
γ 0.02 N/m 298.20 KDB
λ [0.10; 0.11] W/m×K [259.06; 332.39] Show Hide
λ 0.11 W/m×K 259.06 Thermal...
λ 0.11 W/m×K 259.29 Thermal...
λ 0.11 W/m×K 259.54 Thermal...
λ 0.11 W/m×K 277.95 Thermal...
λ 0.11 W/m×K 278.19 Thermal...
λ 0.11 W/m×K 278.44 Thermal...
λ 0.10 W/m×K 297.33 Thermal...
λ 0.10 W/m×K 297.58 Thermal...
λ 0.10 W/m×K 297.84 Thermal...
λ 0.10 W/m×K 315.53 Thermal...
λ 0.10 W/m×K 315.77 Thermal...
λ 0.10 W/m×K 316.03 Thermal...
λ 0.10 W/m×K 331.87 Thermal...
λ 0.10 W/m×K 332.13 Thermal...
λ 0.10 W/m×K 332.39 Thermal...
αdiff [5.84e-08; 7.32e-08] m2/s [259.87; 333.91] Show Hide
αdiff 7.32e-08 m2/s 259.87 Thermal...
αdiff 7.32e-08 m2/s 260.45 Thermal...
αdiff 7.31e-08 m2/s 261.06 Thermal...
αdiff 6.91e-08 m2/s 278.74 Thermal...
αdiff 6.90e-08 m2/s 279.35 Thermal...
αdiff 6.87e-08 m2/s 279.93 Thermal...
αdiff 6.57e-08 m2/s 298.16 Thermal...
αdiff 6.56e-08 m2/s 298.78 Thermal...
αdiff 6.54e-08 m2/s 299.40 Thermal...
αdiff 6.19e-08 m2/s 316.35 Thermal...
αdiff 6.12e-08 m2/s 316.91 Thermal...
αdiff 6.12e-08 m2/s 317.54 Thermal...
αdiff 5.90e-08 m2/s 332.69 Thermal...
αdiff 5.89e-08 m2/s 333.32 Thermal...
αdiff 5.84e-08 m2/s 333.91 Thermal...

Datasets

Mass density, kg/m3

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Mass density, kg/m3 - Liquid
283.15 130.00 728.3
283.15 4973.00 732.2
283.15 9993.00 736.0
283.15 14965.00 739.6
283.15 20000.00 743.0
283.15 25003.00 746.3
283.15 29990.00 749.5
283.15 35009.00 752.5
283.15 39961.00 755.4
283.15 45014.00 758.3
283.15 49986.00 761.0
283.15 54944.00 763.6
283.15 60030.00 766.3
283.15 65014.00 768.8
288.15 102.00 724.3
288.15 5015.00 728.4
288.15 9991.00 732.3
288.15 14975.00 736.0
288.15 20038.00 739.6
288.15 25021.00 743.0
288.15 29929.00 746.1
288.15 35037.00 749.3
288.15 40039.00 752.3
288.15 44998.00 755.2
288.15 49927.00 757.9
288.15 54967.00 760.6
288.15 59925.00 763.2
288.15 65032.00 765.9
293.15 111.00 720.4
293.15 5021.00 724.6
293.15 9998.00 728.6
293.15 14997.00 732.4
293.15 19997.00 736.1
293.15 25022.00 739.6
293.15 29930.00 742.8
293.15 34968.00 746.0
293.15 39974.00 749.1
293.15 45009.00 752.0
293.15 49965.00 754.9
293.15 54987.00 757.6
293.15 59945.00 760.3
293.15 65000.00 762.9
298.15 105.00 716.2
298.15 5072.00 720.6
298.15 9964.00 724.7
298.15 15013.00 728.7
298.15 20054.00 732.5
298.15 25008.00 736.0
298.15 29968.00 739.4
298.15 34937.00 742.6
298.15 40018.00 745.8
298.15 45064.00 748.8
298.15 50010.00 751.7
298.15 55015.00 754.5
298.15 59955.00 757.2
298.15 65024.00 759.9
303.15 100.00 712.0
303.15 4934.00 716.5
303.15 10038.00 720.9
303.15 14973.00 724.9
303.15 19957.00 728.7
303.15 25002.00 732.4
303.15 29980.00 735.9
303.15 34972.00 739.3
303.15 39972.00 742.5
303.15 44990.00 745.6
303.15 49984.00 748.5
303.15 54948.00 751.4
303.15 59951.00 754.2
303.15 65040.00 756.9
308.15 92.00 707.8
308.15 5051.00 712.5
308.15 9961.00 716.8
308.15 14959.00 721.0
308.15 20027.00 725.0
308.15 25025.00 728.8
308.15 29996.00 732.4
308.15 34959.00 735.7
308.15 40017.00 739.1
308.15 45023.00 742.2
308.15 49965.00 745.2
308.15 54977.00 748.2
308.15 60020.00 751.0
308.15 64995.00 753.8
313.15 99.00 703.6
313.15 4997.00 708.5
313.15 9998.00 713.1
313.15 15010.00 717.4
313.15 19994.00 721.4
313.15 25007.00 725.3
313.15 29995.00 729.0
313.15 35008.00 732.4
313.15 39993.00 735.8
313.15 45005.00 739.0
313.15 49990.00 742.1
313.15 55003.00 745.1
313.15 59996.00 748.0
313.15 64993.00 750.8
318.15 104.00 699.5
318.15 4961.00 704.4
318.15 10003.00 709.2
318.15 15026.00 713.7
318.15 19937.00 717.8
318.15 25012.00 721.8
318.15 29990.00 725.5
318.15 34991.00 729.1
318.15 39976.00 732.5
318.15 45028.00 735.8
318.15 49973.00 739.0
318.15 54916.00 742.0
318.15 59988.00 744.9
318.15 65015.00 747.8
323.15 111.00 695.4
323.15 5025.00 700.6
323.15 10013.00 705.5
323.15 14973.00 710.0
323.15 20028.00 714.4
323.15 25014.00 718.4
323.15 29976.00 722.2
323.15 34994.00 725.9
323.15 39992.00 729.4
323.15 45046.00 732.8
323.15 49980.00 736.0
323.15 54968.00 739.1
323.15 59988.00 742.1
323.15 65068.00 745.0
328.15 94.00 691.3
328.15 4971.00 696.6
328.15 9997.00 701.7
328.15 14959.00 706.4
328.15 19969.00 710.9
328.15 25055.00 715.1
328.15 29960.00 719.0
328.15 34966.00 722.7
328.15 40013.00 726.3
328.15 45034.00 729.8
328.15 50015.00 733.1
328.15 54973.00 736.2
328.15 59955.00 739.2
328.15 64992.00 742.2
333.15 95.00 687.1
333.15 4934.00 692.6
333.15 9973.00 697.9
333.15 14973.00 702.8
333.15 19993.00 707.4
333.15 24959.00 711.6
333.15 29952.00 715.7
333.15 34974.00 719.5
333.15 39961.00 723.2
333.15 44999.00 726.7
333.15 49992.00 730.1
333.15 54798.00 733.2
333.15 59952.00 736.4
333.15 65050.00 739.5
338.15 115.00 683.1
338.15 4978.00 688.9
338.15 9970.00 694.3
338.15 14966.00 699.3
338.15 19960.00 703.9
338.15 24994.00 708.4
338.15 30030.00 712.5
338.15 34973.00 716.3
338.15 39979.00 720.0
338.15 45024.00 723.6
338.15 50019.00 727.1
338.15 54928.00 730.3
338.15 59953.00 733.5
338.15 64998.00 736.6
343.15 109.00 678.8
343.15 5084.00 684.9
343.15 9963.00 690.4
343.15 15039.00 695.6
343.15 20010.00 700.4
343.15 24998.00 704.9
343.15 30054.00 709.2
343.15 35048.00 713.2
343.15 40023.00 717.0
343.15 44967.00 720.6
343.15 50023.00 724.2
343.15 54967.00 727.5
343.15 59995.00 730.7
343.15 64954.00 733.8
348.15 112.00 674.5
348.15 5011.00 680.8
348.15 10066.00 686.6
348.15 14992.00 691.9
348.15 19955.00 696.8
348.15 25042.00 701.5
348.15 29986.00 705.8
348.15 35004.00 709.9
348.15 40002.00 713.9
348.15 44996.00 717.6
348.15 49994.00 721.1
348.15 54995.00 724.6
348.15 60005.00 727.9
348.15 65009.00 731.0
353.15 109.00 670.1
353.15 4963.00 676.6
353.15 9919.00 682.5
353.15 15039.00 688.2
353.15 19995.00 693.2
353.15 24983.00 698.0
353.15 29960.00 702.4
353.15 34985.00 706.7
353.15 39983.00 710.7
353.15 45037.00 714.5
353.15 49989.00 718.1
353.15 54953.00 721.6
353.15 59909.00 724.9
353.15 65052.00 728.2
358.15 118.00 665.9
358.15 4955.00 672.5
358.15 9916.00 678.7
358.15 15035.00 684.5
358.15 19946.00 689.6
358.15 25037.00 694.6
358.15 29963.00 699.2
358.15 35027.00 703.4
358.15 40010.00 707.5
358.15 44955.00 711.4
358.15 50023.00 715.1
358.15 54980.00 718.7
358.15 59952.00 722.0
358.15 65021.00 725.4
363.15 101.00 661.3
363.15 4941.00 668.3
363.15 9928.00 674.7
363.15 15005.00 680.6
363.15 19958.00 686.0
363.15 24923.00 691.0
363.15 29983.00 695.8
363.15 34922.00 700.1
363.15 39992.00 704.4
363.15 45038.00 708.4
363.15 49985.00 712.2
363.15 54981.00 715.8
363.15 59985.00 719.3
363.15 65038.00 722.6
Reference

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [279.22; 413.45] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.42673e+01
Coefficient B-3.34524e+03
Coefficient C-3.99270e+01
Temperature range, min.279.22
Temperature range, max.413.45
Pvap 1.33 kPa 279.22 Calculated Property
Pvap 3.03 kPa 294.13 Calculated Property
Pvap 6.28 kPa 309.05 Calculated Property
Pvap 12.06 kPa 323.96 Calculated Property
Pvap 21.70 kPa 338.88 Calculated Property
Pvap 36.93 kPa 353.79 Calculated Property
Pvap 59.90 kPa 368.71 Calculated Property
Pvap 93.14 kPa 383.62 Calculated Property
Pvap 139.62 kPa 398.54 Calculated Property
Pvap 202.63 kPa 413.45 Calculated Property
Pvap [3.04e-06; 2702.14] kPa [163.95; 566.30] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.53988e+01
Coefficient B-6.92178e+03
Coefficient C-9.02988e+00
Coefficient D6.13464e-06
Temperature range, min.163.95
Temperature range, max.566.30
Pvap 3.04e-06 kPa 163.95 Calculated Property
Pvap 3.24e-03 kPa 208.66 Calculated Property
Pvap 0.22 kPa 253.36 Calculated Property
Pvap 3.58 kPa 298.07 Calculated Property
Pvap 24.98 kPa 342.77 Calculated Property
Pvap 103.66 kPa 387.48 Calculated Property
Pvap 307.29 kPa 432.18 Calculated Property
Pvap 727.54 kPa 476.89 Calculated Property
Pvap 1477.92 kPa 521.59 Calculated Property
Pvap 2702.14 kPa 566.30 Calculated Property

Similar Compounds

Pentane, 2,4-dimethyl-3-(1-methylethyl)-. Hexane, 2,3,4,5-tetramethyl-. Hexane, 2,3,4,5-tetramethyl-, erythro. Pentane, 2,2,3,4-tetramethyl-. Pentane, 2,3-dimethyl-. Pentane, 3-ethyl-2,4-dimethyl-. Cyclohexane, 1,2,3,4,5,6-hexamethyl. Pentane, 3-ethyl-2-methyl-. Cyclopentane, 1,2,3,4,5-pentamethyl-, (1,2,3/4,5)-. Pentane, 2,3,3,4-tetramethyl-. Hexane, 3,4-dimethyl-. Hexane, 2,3,5-trimethyl-. Hexane, 2,3,4-trimethyl-. Hexane, 3-ethyl-4-methyl-. Pentane, 2,2,3,3,4-pentamethyl-.

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

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.

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