Chemical Properties of 1H-Indazole (CAS 271-44-3)

InChI

InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)

InChI Key

BAXOFTOLAUCFNW-UHFFFAOYSA-N

Formula

C7H6N2

SMILES

c1ccc2[nH]ncc2c1

Molecular Weight¹

118.14

CAS

271-44-3

Other Names

• 1,2-Diazaindene
• 1H-Benzopyrazole
• 2-Azaindole
• Benzopyrazole
• Indazole
• Isoindazole

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	900.80	kJ/mol	NIST
BasG	868.90	kJ/mol	NIST
ΔcH°solid	[-3778.60; -3764.00]	kJ/mol
ΔcH°solid	-3764.00 ± 0.90	kJ/mol	NIST
ΔcH°solid	-3778.60 ± 3.50	kJ/mol	NIST
ΔcH°solid	-3764.00	kJ/mol	NIST
ΔfH°gas	[243.00; 254.20]	kJ/mol
ΔfH°gas	243.00 ± 1.30	kJ/mol	NIST
ΔfH°gas	254.20 ± 4.60	kJ/mol	NIST
ΔfH°solid	[151.90; 166.50]	kJ/mol
ΔfH°solid	151.90 ± 1.30	kJ/mol	NIST
ΔfH°solid	166.50 ± 3.70	kJ/mol	NIST
ΔsubH°	[87.70; 97.10]	kJ/mol
ΔsubH°	91.10 ± 0.20	kJ/mol	NIST
ΔsubH°	91.10	kJ/mol	NIST
ΔsubH°	91.10 ± 0.20	kJ/mol	NIST
ΔsubH°	87.70	kJ/mol	NIST
ΔsubH°	97.10	kJ/mol	NIST
IE	[8.35; 8.35]	eV
IE	8.35	eV	NIST
IE	8.35	eV	NIST
log10WS	[-2.16; -2.16]
log10WS	-2.16		Aq. Sol...
log10WS	-2.16		Estimat...
logPoct/wat	1.081		Crippen Calculated Property
McVol	90.530	ml/mol	McGowan Calculated Property
Inp	1260.00		NIST
I	2556.00		NIST
Tfus	419.30 ± 0.60	K	NIST

Temperature Dependent Properties

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 1H-Indazole.

Sources

• Crippen Method
• Aqueous Solubility Prediction Method
• Estimated Solubility 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.