Chemical Properties of Benzene, (azidomethyl)- (CAS 622-79-7)

InChI

InChI=1S/C7H7N3/c8-10-9-6-7-4-2-1-3-5-7/h1-5H,6H2

InChI Key

UDLLFLQFQMACJB-UHFFFAOYSA-N

Formula

C7H7N3

SMILES

[N-]=[N+]=NCc1ccccc1

Molecular Weight¹

133.15

CAS

622-79-7

Other Names

• Toluene, «alpha»-azido-
• «alpha»-Azidotoluene
• (Azidomethyl)benzene
• Benzyl azide
• Toluene, alpha-triazo-

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation 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_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-4123.00 ± 1.00	kJ/mol	NIST
ΔfH°gas	416.00 ± 2.00	kJ/mol	NIST
ΔfH°liquid	368.00 ± 1.00	kJ/mol	NIST
ΔvapH°	[48.00; 48.10]	kJ/mol
ΔvapH°	48.10 ± 0.40	kJ/mol	NIST
ΔvapH°	48.00	kJ/mol	NIST
log10WS	-7.44		Crippen Calculated Property
logPoct/wat	2.497		Crippen Calculated Property
McVol	107.070	ml/mol	McGowan Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[356.50; 381.00]	K	[2.10; 3.10]
Tboilr	356.50 ± 1.50	K	2.10	NIST
Tboilr	381.00	K	3.10	NIST

Similar Compounds

Find more compounds similar to Benzene, (azidomethyl)-.

Sources

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

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