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).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-455.69	kJ/mol	Joback Calculated Property
ΔvapH°	36.94	kJ/mol	Joback Calculated Property
log10WS	-1.94		Crippen Calculated Property
logPoct/wat	1.731		Crippen Calculated Property
McVol	98.730	ml/mol	McGowan Calculated Property
Pc	3403.91	kPa	Joback 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	396.39	K	Joback Calculated Property
Tc	575.61	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to neo-Pentyl nitrite.

Sources

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

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