Chemical Properties of Benzoximate (CAS 29104-30-1)

InChI

InChI=1S/C18H18ClNO5/c1-4-24-20-17(25-18(21)12-8-6-5-7-9-12)15-14(22-2)11-10-13(19)16(15)23-3/h5-11H,4H2,1-3H3

InChI Key

BZMIHNKNQJJVRO-UHFFFAOYSA-N

Formula

SMILES

CCON=C(OC(=O)c1ccccc1)c1c(OC)ccc(Cl)c1OC

Molecular Weight¹

363.79

CAS

29104-30-1

Other Names

Benzoic acid, anhydride with 3-chloro-N-ethoxy-2,6-dimethoxybenzenecarboximidic acid
Benzoic acid, anhydride with 3-chloro-N-ethoxy-2,6-dimethoxybenzimidic acid
Benzomate
Citrazon
Benzohydroxamic acid, O-benzoyl-3-chloro-2,6-dimethoxy-N-ethyl-
Acarmate
Artaban
Benzoic 3-chloro-N-ethoxy-2,6-dimethoxybenzimidic anhydride
Benzoxamate
Ethyl O-benzoyl 3-chloro-2,6-dimethoxy-benzohydroximate
NA-53
Benzimidic acid, 3-chloro-N-ethoxy-2,6-dimethoxy-, anhydride with benzoic acid
Ethyl O-benzoyl-3-chloro-2,6-dimethoxybenzohydroxamate
Aazomate
(3-Chloro-2,6-dimethoxyphenyl)(ethoxyimino)methyl benzoate

ω : Acentric Factor.
Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
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.

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Physical Properties

Property	Value	Unit	Source
ω	0.9322		Relay (1.0) Calculated Property
Δ_fG°	-179.19	kJ/mol	Relay (1.0-beta) Calculated Property
Δ_fH°_gas	-499.58	kJ/mol	Relay (1.0) Calculated Property
Δ_vapH°	109.86	kJ/mol	Relay (1.0) Calculated Property
IE	7.99	eV	Relay (1.0) Calculated Property
log₁₀WS	-4.57		Relay (1.0) Calculated Property
logP_oct/wat	3.912		Crippen Calculated Property
McVol	259.930	ml/mol	McGowan Calculated Property
P_c	1637.78	kPa	Joback Calculated Property
T_boil	665.49	K	Relay (1.0) Calculated Property
T_c	926.92	K	Relay (1.0) Calculated Property
T_fus	358.36	K	Relay (1.0) Calculated Property
V_c	0.938	m³/kmol	Relay (1.0) Calculated Property

Similar Compounds

Benzquinamide M (N-des-Et), acetylated.

Benzquinamide.

2H-benzo[a]quinolizine-3-carboxamide,n,n-diethyl-1,3,4,6,7,11b-hexahydro-2-hydroxy-9,10-dimethoxy-,methyl ester carbonate.

Carteolol, acetylated.

(1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate.

Zinc octaethylporphyrin chloride.

Baptifoline.

Epibaptifoline.

Argentamin.

norbormide.

Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-.

Quinapril desethyl 3Me (Quinaprilate 3Me).

11-Allylcytisine.

Methyl-12-cytisine acetate.

Benzquinamide M (O-des-Et), acetylated.

Find more compounds similar to Benzoximate.

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
Joback Method
McGowan Method
NIST Webbook

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