Chemical Properties of Neopentane (CAS 463-82-1)

Neopentane

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InChI
InChI=1S/C5H12/c1-5(2,3)4/h1-4H3
InChI Key
CRSOQBOWXPBRES-UHFFFAOYSA-N
Formula
C5H12
SMILES
CC(C)(C)C
Molecular Weight1
72.15
CAS
463-82-1
Other Names
  • 1,1,1-Trimethylethane
  • 2,2-Dimethylpropane
  • Dimethylpropane
  • Neo-C5H12
  • Propane, 2,2-dimethyl-
  • Tetramethylcarbon
  • Tetramethylmethane
  • UN 2044
  • tert-Pentane

Physical Properties

Property Value Unit Source
Δcgas -3514.10 ± 0.96 kJ/mol NIST
Δcliquid [-3494.40; -3492.40] kJ/mol Show Hide
Δcliquid -3492.40 ± 0.59 kJ/mol NIST
Δcliquid -3494.40 ± 1.00 kJ/mol NIST
Δf -5.94 kJ/mol Joback Calculated Property
Δfgas [-168.50; -166.00] kJ/mol Show Hide
Δfgas -167.90 ± 0.63 kJ/mol NIST
Δfgas -168.50 ± 1.00 kJ/mol NIST
Δfgas -166.00 ± 1.00 kJ/mol NIST
Δfliquid [-190.30; -188.20] kJ/mol Show Hide
Δfliquid -190.30 ± 0.63 kJ/mol NIST
Δfliquid -188.20 ± 1.00 kJ/mol NIST
Δfus 1.29 kJ/mol Joback Calculated Property
Δvap [21.80; 22.40] kJ/mol Show Hide
Δvap 22.39 kJ/mol NIST
Δvap 21.80 kJ/mol NIST
Δvap 21.85 kJ/mol NIST
Δvap 22.40 ± 0.59 kJ/mol NIST
IE [10.21; 11.30] eV Show Hide
IE 10.30 ± 0.08 eV NIST
IE 10.21 ± 0.04 eV NIST
IE 10.30 ± 0.10 eV NIST
IE 10.40 eV NIST
IE 10.35 eV NIST
IE 10.90 eV NIST
IE 10.90 ± 0.10 eV NIST
IE 11.30 eV NIST
IE 11.30 eV NIST
log10WS -1.67 Crippen Calculated Property
logPoct/wat 2.052 Crippen Calculated Property
McVol 81.310 ml/mol McGowan Calculated Property
Pc [3196.30; 3200.00] kPa Show Hide
Pc 3200.00 ± 10.00 kPa NIST
Pc 3196.30 ± 10.13 kPa NIST
Pc 3199.00 ± 20.27 kPa NIST
ρc [231.89; 235.21] kg/m3 Show Hide
ρc 235.21 ± 0.72 kg/m3 NIST
ρc 231.89 ± 2.16 kg/m3 NIST
Inp [407.60; 415.30]   Show Hide
Inp 413.00 NIST
Inp 412.50 NIST
Inp 413.00 NIST
Inp 408.80 NIST
Inp 409.80 NIST
Inp 410.60 NIST
Inp 411.30 NIST
Inp 411.80 NIST
Inp 412.10 NIST
Inp 412.30 NIST
Inp Outlier 407.60 NIST
Inp 412.00 NIST
Inp 413.00 NIST
Inp 411.00 NIST
Inp 413.00 NIST
Inp 413.00 NIST
Inp 413.00 NIST
Inp 411.00 NIST
Inp 412.00 NIST
Inp 413.00 NIST
Inp 412.00 NIST
Inp 415.30 NIST
Inp 408.40 NIST
Inp 412.00 NIST
Inp 414.00 NIST
Inp 414.00 NIST
Inp 412.00 NIST
Inp 413.00 NIST
Inp 412.00 NIST
Inp 413.00 NIST
Inp 413.00 NIST
Inp 415.00 NIST
Inp 409.00 NIST
Inp 409.00 NIST
Inp 415.00 NIST
Inp 414.00 NIST
Inp 413.00 NIST
Inp 409.00 NIST
Inp 415.30 NIST
Inp 410.60 NIST
Inp Outlier 407.60 NIST
Inp 412.00 NIST
liquid [216.81; 218.80] J/mol×K Show Hide
liquid 216.81 J/mol×K NIST
liquid 218.80 J/mol×K NIST
Tboil [282.15; 283.00] K Show Hide
Tboil 282.70 K NIST
Tboil 282.70 K NIST
Tboil 282.65 ± 0.30 K NIST
Tboil 282.65 ± 2.00 K NIST
Tboil 282.75 ± 0.30 K NIST
Tboil 282.65 ± 0.30 K NIST
Tboil 282.65 ± 0.10 K NIST
Tboil 282.15 ± 3.00 K NIST
Tboil 282.56 ± 0.20 K NIST
Tboil 282.60 ± 0.50 K NIST
Tboil 282.75 ± 0.50 K NIST
Tboil 282.15 ± 1.00 K NIST
Tboil 283.00 ± 2.00 K NIST
Tboil 282.65 ± 1.00 K NIST
Tboil 282.15 ± 2.00 K NIST
Tboil 282.15 ± 2.00 K NIST
Tboil 282.65 ± 2.00 K NIST
Tc [433.75; 433.80] K Show Hide
Tc 433.80 ± 0.10 K NIST
Tc 433.80 K NIST
Tc 433.80 ± 0.20 K NIST
Tc 433.75 ± 0.10 K NIST
Tc 433.75 ± 0.20 K NIST
Tfus [252.65; 256.60] K Show Hide
Tfus 253.80 ± 0.60 K NIST
Tfus 256.57 ± 0.04 K NIST
Tfus 256.60 ± 0.03 K NIST
Tfus 256.55 ± 0.05 K NIST
Tfus 254.15 ± 2.00 K NIST
Tfus 252.65 ± 1.00 K NIST
Tfus 253.65 ± 0.50 K NIST
Tfus 253.00 ± 5.00 K NIST
Ttriple [256.53; 256.77] K Show Hide
Ttriple 256.76 ± 0.02 K NIST
Ttriple 256.77 ± 0.03 K NIST
Ttriple 256.53 ± 0.02 K NIST
Vc [0.304; 0.307] m3/kmol Show Hide
Vc 0.307 m3/kmol NIST
Vc 0.304 ± 0.004 m3/kmol NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [120.82; 193.38] J/mol×K [298.15; 523.15] Show Hide
Cp,gas 120.82 ± 0.25 J/mol×K 298.15 NIST
Cp,gas 129.58 ± 0.26 J/mol×K 323.15 NIST
Cp,gas 138.41 ± 0.28 J/mol×K 348.15 NIST
Cp,gas 147.06 ± 0.29 J/mol×K 373.15 NIST
Cp,gas 155.46 ± 0.31 J/mol×K 398.15 NIST
Cp,gas 163.52 ± 0.32 J/mol×K 423.15 NIST
Cp,gas 171.46 ± 0.34 J/mol×K 448.15 NIST
Cp,gas 178.95 ± 0.36 J/mol×K 473.15 NIST
Cp,gas 186.42 ± 0.37 J/mol×K 498.15 NIST
Cp,gas 193.38 ± 0.39 J/mol×K 523.15 NIST
Cp,liquid [153.09; 163.89] J/mol×K [259.93; 278.92] Show Hide
Cp,liquid 153.09 J/mol×K 259.93 NIST
Cp,liquid 163.89 J/mol×K 278.92 NIST
η [0.0002740; 0.0099225] Pa×s [148.53; 310.57] Show Hide
η 0.0099225 Pa×s 148.53 Joback Calculated Property
η 0.0034432 Pa×s 175.54 Joback Calculated Property
η 0.0015845 Pa×s 202.54 Joback Calculated Property
η 0.0008752 Pa×s 229.55 Joback Calculated Property
η 0.0005478 Pa×s 256.56 Joback Calculated Property
η 0.0003749 Pa×s 283.56 Joback Calculated Property
η 0.0002740 Pa×s 310.57 Joback Calculated Property
ΔfusH [2.58; 3.26] kJ/mol [140.00; 256.50] Show Hide
ΔfusH 2.58 kJ/mol 140.00 NIST
ΔfusH 3.26 kJ/mol 256.50 NIST
ΔfusH 3.26 kJ/mol 256.50 NIST
ΔsubH [23.90; 28.20] kJ/mol [210.00; 239.50] Show Hide
ΔsubH 23.90 kJ/mol 210.00 NIST
ΔsubH 28.20 kJ/mol 239.50 NIST
ΔvapH [11.10; 24.30] kJ/mol [275.00; 410.00] Show Hide
ΔvapH 24.30 kJ/mol 275.00 NIST
ΔvapH 22.75 kJ/mol 282.61 NIST
ΔvapH 22.74 kJ/mol 282.70 NIST
ΔvapH 22.80 ± 0.10 kJ/mol 283.00 NIST
ΔvapH 22.20 kJ/mol 290.00 NIST
ΔvapH 24.00 kJ/mol 290.50 NIST
ΔvapH 19.50 kJ/mol 330.00 NIST
ΔvapH 23.10 kJ/mol 348.50 NIST
ΔvapH 16.20 kJ/mol 370.00 NIST
ΔvapH 22.80 kJ/mol 388.00 NIST
ΔvapH 23.10 kJ/mol 407.50 NIST
ΔvapH 11.10 kJ/mol 410.00 NIST
ΔfusS [12.69; 18.41] J/mol×K [140.00; 256.50] Show Hide
ΔfusS 18.41 J/mol×K 140.00 NIST
ΔfusS 12.69 J/mol×K 256.50 NIST
ΔvapS 80.50 J/mol×K 282.61 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [35.45; 3189.08] kPa [256.58; 433.78] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A6.55175e+01
Coefficient B-4.67668e+03
Coefficient C-8.00342e+00
Coefficient D1.02687e-05
Temperature range, min.256.58
Temperature range, max.433.78
Pvap 35.45 kPa 256.58 Calculated Property
Pvap 80.09 kPa 276.27 Calculated Property
Pvap 159.81 kPa 295.96 Calculated Property
Pvap 289.40 kPa 315.65 Calculated Property
Pvap 485.45 kPa 335.34 Calculated Property
Pvap 766.20 kPa 355.02 Calculated Property
Pvap 1151.89 kPa 374.71 Calculated Property
Pvap 1665.44 kPa 394.40 Calculated Property
Pvap 2333.72 kPa 414.09 Calculated Property
Pvap 3189.08 kPa 433.78 Calculated Property

Similar Compounds

Neopentyl radical. 1-Phospha-1-butyne, 3,3-dimethyl-. Propanenitrile, 2,2-dimethyl-. 1-Butyne, 3,3-dimethyl-. Propanedinitrile, dimethyl-. Propanal, 2,2-dimethyl-. tert-Butyl iodide. Isobutyl radical. Isobutane. i-C4H9. Propane, 1-iodo-2,2-dimethyl-. Propane, 2-chloro-2-methyl-. di-t-Butylacetylene. Propane, 1-chloro-2,2-dimethyl-. Propane, 2-fluoro-2-methyl-.

Find more compounds similar to Neopentane.

Sources

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

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