Chemical Properties of Pentane, 2,2,4-trimethyl-4-nitro-

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

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_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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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