Chemical Properties of 9H-Carbazole, 3-methoxy- (CAS 18992-85-3)

InChI

InChI=1S/C13H11NO/c1-15-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,14H,1H3

InChI Key

BISIQSCKDZYPLR-UHFFFAOYSA-N

Formula

C13H11NO

SMILES

COc1ccc2[nH]c3ccccc3c2c1

Molecular Weight¹

197.23

CAS

18992-85-3

Other Names

• Carbazole, 3-methoxy-
• 3-Methoxycarbazole

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	70.58	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	94.00	kJ/mol	Relay (1.0) Calculated Property
IE	7.20	eV	Relay (1.0) Calculated Property
log10WS	-4.77		Relay (1.0) Calculated Property
logPoct/wat	2.848		Crippen Calculated Property
McVol	151.500	ml/mol	McGowan Calculated Property
Pc	3569.96	kPa	Relay (1.0-beta) Calculated Property
Tboil	653.48	K	Relay (1.0) Calculated Property
Tc	936.23	K	Relay (1.0) Calculated Property
Tfus	[411.65; 422.00]	K
Tfus	422.00 ± 4.00	K	NIST
Tfus	411.65 ± 2.00	K	NIST
Vc	0.569	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate 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 9H-Carbazole, 3-methoxy-.

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
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.