Chemical Properties of neo-Pentyl nitrite

InChI

InChI=1S/C5H11NO2/c1-5(2,3)4-8-6-7/h4H2,1-3H3

InChI Key

YIGAWISCEHGPRK-UHFFFAOYSA-N

Formula

C5H11NO2

SMILES

CC(C)(C)CON=O

Molecular Weight¹

117.15

Other Names

• Nitrous acid, 2,2-dimethylpropyl ester

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-182.74	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	40.87	kJ/mol	Relay (1.0) Calculated Property
IE	10.00	eV	Relay (1.0) Calculated Property
logPoct/wat	1.731		Crippen Calculated Property
McVol	98.730	ml/mol	McGowan Calculated Property
Inp	[578.00; 585.00]
Inp	578.00		NIST
Inp	585.00		NIST
Inp	585.00		NIST
Inp	578.00		NIST
I	[750.00; 750.00]
I	750.00		NIST
I	750.00		NIST
Tboil	359.96	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Similar Compounds

Find more compounds similar to neo-Pentyl nitrite.

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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