Chemical Properties of Propanenitrile, 2,2-dimethyl- (CAS 630-18-2)

Propanenitrile, 2,2-dimethyl-

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InChI
InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3
InChI Key
JAMNHZBIQDNHMM-UHFFFAOYSA-N
Formula
C5H9N
SMILES
CC(C)(C)C#N
Molecular Weight1
83.13
CAS
630-18-2
Other Names
  • (CH3)3C-CN
  • 2,2-Dimethylpropanenitrile
  • 2,2-Dimethylpropionitrile
  • 2-Cyano-2-methylpropane
  • NSC 890
  • Pivalonitrile
  • Trimethylacetonitrile
  • tert-Butyl cyanide
  • tert-Butylnitrile

Physical Properties

Property Value Unit Source
PAff 810.90 kJ/mol NIST
BasG 780.20 kJ/mol NIST
Δcliquid -3213.90 ± 0.71 kJ/mol NIST
EA 0.01 ± 0.00 eV NIST
Δf 127.24 kJ/mol Joback Calculated Property
Δfgas -3.30 kJ/mol NIST
Δfliquid -39.90 kJ/mol NIST
Δfus 2.80 kJ/mol Joback Calculated Property
Δvap [36.60; 37.80] kJ/mol Show Hide
Δvap 37.50 kJ/mol NIST
Δvap 36.70 kJ/mol NIST
Δvap 36.60 kJ/mol NIST
Δvap 37.35 ± 0.03 kJ/mol NIST
Δvap 37.80 kJ/mol NIST
log10WS -1.54 Crippen Calculated Property
logPoct/wat 1.556 Crippen Calculated Property
McVol 82.690 ml/mol McGowan Calculated Property
Pc 3443.98 kPa Joback Calculated Property
liquid 232.00 J/mol×K NIST
Tboil 412.65 K Joback Calculated Property
Tc 616.42 K Joback Calculated Property
Tfus 288.65 ± 2.00 K NIST
Ttriple 292.13 ± 0.02 K NIST
Vc 0.331 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [155.24; 202.27] J/mol×K [412.65; 616.42] Show Hide
Cp,gas 155.24 J/mol×K 412.65 Joback Calculated Property
Cp,gas 164.35 J/mol×K 446.61 Joback Calculated Property
Cp,gas 172.92 J/mol×K 480.57 Joback Calculated Property
Cp,gas 180.97 J/mol×K 514.54 Joback Calculated Property
Cp,gas 188.53 J/mol×K 548.50 Joback Calculated Property
Cp,gas 195.62 J/mol×K 582.46 Joback Calculated Property
Cp,gas 202.27 J/mol×K 616.42 Joback Calculated Property
Cp,liquid [153.30; 179.37] J/mol×K [297.00; 298.15] Show Hide
Cp,liquid 153.30 J/mol×K 297.00 NIST
Cp,liquid 179.37 J/mol×K 298.15 NIST
ΔfusH [0.23; 9.29] kJ/mol [213.00; 292.10] Show Hide
ΔfusH 0.23 kJ/mol 213.00 NIST
ΔfusH 1.91 kJ/mol 232.70 NIST
ΔfusH 9.29 kJ/mol 292.10 NIST
ΔfusH 9.29 kJ/mol 292.10 NIST
ΔvapH [32.40; 37.00] kJ/mol [332.00; 379.20] Show Hide
ΔvapH 37.00 kJ/mol 332.00 NIST
ΔvapH 36.50 kJ/mol 342.00 NIST
ΔvapH 32.40 kJ/mol 379.20 NIST
ΔfusS [1.09; 31.80] J/mol×K [213.00; 292.10] Show Hide
ΔfusS 1.09 J/mol×K 213.00 NIST
ΔfusS 7.78 J/mol×K 232.70 NIST
ΔfusS 31.80 J/mol×K 292.10 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [276.09; 392.31] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.56833e+01
Coefficient B-3.69387e+03
Coefficient C-3.61660e+01
Temperature range, min.276.09
Temperature range, max.392.31
Pvap 1.33 kPa 276.09 Calculated Property
Pvap 2.93 kPa 289.00 Calculated Property
Pvap 5.95 kPa 301.92 Calculated Property
Pvap 11.33 kPa 314.83 Calculated Property
Pvap 20.38 kPa 327.74 Calculated Property
Pvap 34.88 kPa 340.66 Calculated Property
Pvap 57.14 kPa 353.57 Calculated Property
Pvap 90.07 kPa 366.48 Calculated Property
Pvap 137.18 kPa 379.40 Calculated Property
Pvap 202.65 kPa 392.31 Calculated Property

Similar Compounds

Propanedinitrile, dimethyl-. Neopentane. Neopentyl radical. 1-Phospha-1-butyne, 3,3-dimethyl-. Isobutyronitrile. 1-Butyne, 3,3-dimethyl-. Propanal, 2,2-dimethyl-. Propane, 2-chloro-2-methyl-. Propane, 1-iodo-2,2-dimethyl-. Tetramethylbutanedinitrile. Propane, 1-chloro-2,2-dimethyl-. di-t-Butylacetylene. 2-Pentyne, 4,4-dimethyl-. tert-Butyl iodide. Propane, 2-fluoro-2-methyl-.

Find more compounds similar to Propanenitrile, 2,2-dimethyl-.

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