Chemical Properties of Butane, 2,3-dimethyl-2-nitro-

Butane, 2,3-dimethyl-2-nitro-

InChI
InChI=1S/C6H13NO2/c1-5(2)6(3,4)7(8)9/h5H,1-4H3
InChI Key
PKOVWKGRNZGQHY-UHFFFAOYSA-N
Formula
C6H13NO2
SMILES
CC(C)C(C)(C)[N+](=O)[O-]
Molecular Weight1
131.17
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Physical Properties

Property Value Unit Source
ω 0.3590 Relay (1.0) Calculated Property
Δfgas -207.51 kJ/mol Relay (1.0) Calculated Property
Δfus 11.72 kJ/mol Joback Calculated Property
Δvap 49.96 kJ/mol Relay (1.0) Calculated Property
IE 10.20 eV Relay (1.0) Calculated Property
log10WS -2.88 Relay (1.0) Calculated Property
logPoct/wat 1.698 Crippen Calculated Property
McVol 112.820 ml/mol McGowan Calculated Property
Pc 3246.73 kPa Joback Calculated Property
Tboil 446.65 ± 2.00 K NIST
Tc 650.72 K Relay (1.0) Calculated Property
Tfus 302.40 ± 1.00 K NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [253.67; 321.03] J/mol×K [485.05; 705.31] Show Hide
Cp,gas 253.67 J/mol×K 485.05 Joback Calculated Property
Cp,gas 266.90 J/mol×K 521.76 Joback Calculated Property
Cp,gas 279.27 J/mol×K 558.47 Joback Calculated Property
Cp,gas 290.82 J/mol×K 595.18 Joback Calculated Property
Cp,gas 301.60 J/mol×K 631.89 Joback Calculated Property
Cp,gas 311.66 J/mol×K 668.60 Joback Calculated Property
Cp,gas 321.03 J/mol×K 705.31 Joback Calculated Property

Similar Compounds

Butane, 2,3-dimethyl-2,3-dinitro-. Pentane, 2,4-dimethyl-2-nitro-. 2-Nitro-2-isopropyl-1,3-propanediol. 2-Nitro-3-methyl-1-butanol. 2-Nitro-2-methyl-1-butanol. Pentanoic acid, 4-methyl-4-nitro-, methyl ester. Butane, 2-nitro-. 2-ETHYL-2-NITROPROPANE-1,3-DIOL. Tricyclo[3.3.1.1(3,7)]decane, 1-nitro-. Pentane, 2,2,4-trimethyl-4-nitro-. Aziridine, 1-methoxy-2,2,3-trimethyl, anty. 1-Methoxy-2,2,3-trimethylaziridine (sin). 2-Cyano-2-nitroadamantane. Propane, 2-methyl-1-nitro-. Tricyclo[3.3.1.13,7]decane, 2-nitro-.

Find more compounds similar to Butane, 2,3-dimethyl-2-nitro-.

Sources

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