Chemical Properties of Isoamyl nitrite (CAS 110-46-3)

InChI

InChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3

InChI Key

OWFXIOWLTKNBAP-UHFFFAOYSA-N

Formula

C5H11NO2

SMILES

CC(C)CCON=O

Molecular Weight¹

117.15

CAS

110-46-3

Other Names

• ''amyl nitrite'', mixed isomers
• 3-Methylbutanol nitrite
• 3-Methylbutyl nitrite
• 3-methyl-1-nitrosooxybutane
• Amilnitrite
• Amyl Nitrite
• Aspiral
• IPN
• Isopentyl alcohol, nitrite
• Isopentyl nitrite
• NCI-C50179
• NSC 7903
• Nitramyl
• Nitrous acid, 3-methylbutyl ester
• Nitrous acid, isopentyl ester
• Vaporole

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

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-164.37	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	40.49	kJ/mol	Relay (1.0) Calculated Property
IE	10.19	eV	Relay (1.0) Calculated Property
log10WS	-1.59		Relay (1.0) Calculated Property
logPoct/wat	1.731		Crippen Calculated Property
McVol	98.730	ml/mol	McGowan Calculated Property
Pc	5070.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 Compiled value
Inp	[653.00; 684.00]
Inp	653.00		NIST
Inp	684.00		NIST
Inp	684.00		NIST
Inp	680.00		NIST
Inp	684.00		NIST
Inp	653.00		NIST
Tboil	[369.00; 372.40]	K
Tboil	372.40	K	NIST
Tboil	369.00 ± 1.00	K	NIST
Tc	476.80	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 Compiled value
Tfus	196.08	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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 Isoamyl nitrite.

Sources

• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 ChEDL chemicals 1.5.2, from Ambrose, D.; Tsonopoulos, C.; Nikitin, E. D. Vapor-Liquid Critical Properties of Elements and Compounds. 11. Organic Compounds Containing B + O; Halogens + N, + O, + O + S, + S, + Si; N + O; and O + S, + Si. J. Chem. Eng. Data 2009, 54, 669-689.
• Cheméo Relay (1.0)
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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