Chemical Properties of (CH3)3CONO (CAS 540-80-7)

(CH3)3CONO

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InChI
InChI=1S/C4H9NO2/c1-4(2,3)7-5-6/h1-3H3
InChI Key
IOGXOCVLYRDXLW-UHFFFAOYSA-N
Formula
C4H9NO2
SMILES
CC(C)(C)ON=O
Molecular Weight1
103.12
CAS
540-80-7
Other Names
  • (CH3)3CONO
  • Nitrous acid, 1,1-dimethylethyl ester
  • Nitrous acid, t-butyl ester
  • tert-Butyl nitrite
  • tert.-Butyl nitrite
  • «alpha»,«alpha»-Dimethylethyl nitrite
Sources

Physical Properties

Property Value Unit Source
PAff 863.90 kJ/mol NIST
BasG 831.40 kJ/mol NIST
Δcliquid -2654.00 ± 3.00 kJ/mol NIST
Δfgas -172.00 ± 4.20 kJ/mol NIST
Δfliquid -206.00 kJ/mol NIST
Δvap 34.00 kJ/mol NIST
logPoct/wat 1.48 Crippen Calculated Property
Pc 3819.82 kPa Joback Calculated Property
Tboil 336.20 K NIST
Tboil 336.00 K NIST
Tboil 335.00 ± 1.00 K NIST
Tc 553.55 K Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH 30.80 kJ/mol 302.0 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=O 1
-CH3 3
>C< 1
-N= 1

Similar Compounds

iso-Propyl nitrite. C2H5C(CH3)2ONO. CH3CH2CH(CH3)ONO. Ethyl-nitrite-. Nitric acid, 1-methylethyl ester. Propyl nitrite. (CH3)2CHCH2ONO. CH3(CH2)2CH(CH3)ONO. n-Butyl nitrite. Nitric acid, ethyl ester. Amyl Nitrite. 2-Propanol, 2-methyl-. trans-Di-tert-butylhyponitrite. (CH3)3CO2. Tert-butyl hydroperoxide.

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