Chemical Properties of Desmedipham (CAS 13684-56-5)

InChI

InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)

InChI Key

WZJZMXBKUWKXTQ-UHFFFAOYSA-N

Formula

C16H16N2O4

SMILES

CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1

Molecular Weight¹

300.31

CAS

13684-56-5

Other Names

• 3-(Aethoxycarbonylaminophenyl)-N-phenyl-carbamat
• 3-Ethoxycarbonylaminophenyl N-phenylcarbamate
• Bentanex
• Betanal AM
• Betanex
• Carbamic acid, [3-[[(phenylamino)carbonyl]oxy]phenyl]-, ethyl ester
• Carbamic acid, phenylcarbamoyloxyphenyl-, ethyl ester
• Carbanilic acid, m-carbaniloyloxy-, ethyl ester
• Carbanilic acid, m-hydroxy-, ethyl ester, carbanilate (ester)
• EP 475
• Ethyl N-[3-(N-phenylcarbamoyloxy)phenyl]carbamate
• Ethyl [3-[[(phenylamino)carbonyl]oxy]phenylcarbamate
• Ethyl m-hydroxycarbanilate carbanilate
• Ethyl phenylcarbamoyloxyphenylcarbamate
• SN 38107
• Schering 38107
• Synbetan D

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔfG°	9.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-294.64	kJ/mol	Joback Calculated Property
ΔfusH°	40.66	kJ/mol	Joback Calculated Property
ΔvapH°	87.61	kJ/mol	Joback Calculated Property
log10WS	[-4.63; -4.63]
log10WS	-4.63		Aq. Sol...
log10WS	-4.63		Estimat...
logPoct/wat	3.866		Crippen Calculated Property
McVol	223.620	ml/mol	McGowan Calculated Property
Pc	2527.73	kPa	Joback Calculated Property
Tboil	876.74	K	Joback Calculated Property
Tc	1110.02	K	Joback Calculated Property
Tfus	394.81 ± 0.20	K	NIST
Vc	0.834	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[661.26; 712.41]	J/mol×K	[876.74; 1110.02]
Cp,gas	661.26	J/mol×K	876.74	Joback Calculated Property
Cp,gas	672.76	J/mol×K	915.62	Joback Calculated Property
Cp,gas	683.02	J/mol×K	954.50	Joback Calculated Property
Cp,gas	692.08	J/mol×K	993.38	Joback Calculated Property
Cp,gas	699.98	J/mol×K	1032.26	Joback Calculated Property
Cp,gas	706.75	J/mol×K	1071.14	Joback Calculated Property
Cp,gas	712.41	J/mol×K	1110.02	Joback Calculated Property
ΔfusH	32.75	kJ/mol	394.10	NIST

Similar Compounds

Find more compounds similar to Desmedipham.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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