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
Sources

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
logPoct/wat 1.556 Crippen Calculated Property
Pc 3443.98 kPa Joback Calculated Property
liquid 232.00 J/mol×K NIST
Tboil [332.10; 379.20] K Show Hide
Tboil 378.70 K NIST
Tboil 379.20 K NIST
Tboil 376.70 ± 5.00 K NIST
Tboil 377.70 ± 3.00 K NIST
Tboil Outlier 332.10 ± 1.00 K NIST
Tboil 378.70 ± 4.00 K NIST
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/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 155.24 J/mol×K 412.65 Joback Calculated Property
Cp,liquid 153.30 J/mol×K 297.0 NIST
Cp,liquid 179.37 J/mol×K 298.15 NIST
ΔfusH 0.23 kJ/mol 213.0 NIST
ΔfusH 1.91 kJ/mol 232.7 NIST
ΔfusH 9.29 kJ/mol 292.1 NIST
ΔvapH 37.00 kJ/mol 332.0 NIST
ΔvapH 36.50 kJ/mol 342.0 NIST
ΔvapH 32.40 kJ/mol 379.2 NIST
ΔfusS 1.09 J/mol×K 213.0 NIST
ΔfusS 7.78 J/mol×K 232.7 NIST
ΔfusS 31.80 J/mol×K 292.1 NIST

Molecular Descriptors

Joback and Reid Groups
-CN 1
-CH3 3
>C< 1

Similar Compounds

Propanenitrile, 2-methyl-. Propanedinitrile, dimethyl-. 1,1-Dicyanoethane. Propanenitrile. 1-Cyanoethyl radical. 2-Cyanoethyl radical. Butanenitrile, 2-methyl-. Malononitrile. Cyclopropanecarbonitrile. 3-Chloro-2-methylpropionitrile. .alpha.-Cyanopropionaldehyde. Butanenitrile, 3-methyl-. Butanenitrile. Propanenitrile, 2-hydroxy-2-methyl-. Neopentyl radical.

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

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