Chemical Properties of Pentane, 2,2,4-trimethyl-4-nitro- (CAS 5342-78-9)

InChI

InChI=1S/C8H17NO2/c1-7(2,3)6-8(4,5)9(10)11/h6H2,1-5H3

InChI Key

CUEFTLGHWYSCTO-UHFFFAOYSA-N

Formula

C8H17NO2

SMILES

CC(C)(C)CC(C)(C)[N+](=O)[O-]

Molecular Weight¹

159.23

CAS

5342-78-9

Other Names

• 2-Nitro-2,4,4-trimethylpentane
• 2,4,4-Trimethyl-2-nitropentane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[344.84; 423.93]	J/mol×K	[527.82; 749.84]
Cp,gas	344.84	J/mol×K	527.82	Joback Calculated Property
Cp,gas	360.60	J/mol×K	564.82	Joback Calculated Property
Cp,gas	375.23	J/mol×K	601.83	Joback Calculated Property
Cp,gas	388.80	J/mol×K	638.83	Joback Calculated Property
Cp,gas	401.40	J/mol×K	675.83	Joback Calculated Property
Cp,gas	413.08	J/mol×K	712.84	Joback Calculated Property
Cp,gas	423.93	J/mol×K	749.84	Joback Calculated Property
ΔvapH	54.20 ± 0.80	kJ/mol	306.00	NIST

Similar Compounds

Find more compounds similar to Pentane, 2,2,4-trimethyl-4-nitro-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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