Chemical Properties of Carbamic acid, (3-methylphenyl)-, 3-[(methoxycarbonyl)amino]phenyl ester (CAS 13684-63-4)

InChI

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

InChI Key

IDOWTHOLJBTAFI-UHFFFAOYSA-N

Formula

C16H16N2O4

SMILES

COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1

Molecular Weight¹

300.31

CAS

13684-63-4

Other Names

• 3-(Carbomethoxyamino)phenyl 3-methylcarbanilate
• 3-(Methylphenyl)carbamic acid 3-((methoxycarbonyl)amino)phenyl ester
• 3-Methoxycarbonyl-N-(3'-methylphenyl)-carbamat
• 3-Methoxycarbonylaminophenyl N-3'-methylphenylcarbamate
• 3-[(Methoxycarbonyl)amino]phenyl (3-methylphenyl)carbamate
• 3-[(Methoxycarbonyl)amino]phenyl N-(3-methylphenyl)carbamate
• Alegro
• Beetomax
• Beetup
• Betanal
• Betanal E
• Betosip
• Carbanilic acid, m-hydroxy-, methyl ester, m-methylcarbanilate
• Carbanilic acid, m-hydroxy-, methyl ester, m-methylcarbanilate (ester)
• EP-452
• Fender
• Fenmedifam
• Gusto
• Kemifam
• Kemifam FL
• Methyl 3-(m-tolylcarbamoyloxy)phenylcarbamate
• Methyl N-[3-[N-(3-methylphenyl)carbamoyloxy]phenyl]carbamate
• Methyl m-hydroxycarbanilate m-methylcarbanilate
• Phenmedipham
• Phenmediphame
• Protrum K
• SN 4075
• SN-38584
• Schering 4072
• Schering-38584
• Spin-aid
• Synbetan P
• Tripart beta
• Vangard
• m-Hydroxycarbanilic acid methyl ester m-methylcarbanilate

• ω : Acentric Factor.
• 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).
• 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
ω	0.8777		Relay (1.0) Calculated Property
ΔfG°	0.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-551.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.27	kJ/mol	Joback Calculated Property
ΔvapH°	119.85	kJ/mol	Relay (1.0) Calculated Property
IE	7.82	eV	Relay (1.0) Calculated Property
log10WS	[-4.80; -4.79]
log10WS	-4.79		Aq. Solubility Prediction
log10WS	-4.80		Estimated Solubility
logPoct/wat	3.784		Crippen Calculated Property
McVol	223.620	ml/mol	McGowan Calculated Property
Pc	2490.03	kPa	Joback Calculated Property
Tboil	639.25	K	Relay (1.0) Calculated Property
Tc	991.27	K	Relay (1.0) Calculated Property
Tfus	[423.90; 424.48]	K
Tfus	424.48 ± 0.20	K	NIST
Tfus	423.90 ± 0.20	K	NIST
Vc	0.802	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[659.70; 709.96]	J/mol×K	[881.72; 1115.72]
Cp,gas	659.70	J/mol×K	881.72	Joback Calculated Property
Cp,gas	671.10	J/mol×K	920.72	Joback Calculated Property
Cp,gas	681.26	J/mol×K	959.72	Joback Calculated Property
Cp,gas	690.20	J/mol×K	998.72	Joback Calculated Property
Cp,gas	697.94	J/mol×K	1037.72	Joback Calculated Property
Cp,gas	704.52	J/mol×K	1076.72	Joback Calculated Property
Cp,gas	709.96	J/mol×K	1115.72	Joback Calculated Property
ΔfusH	[39.62; 39.62]	kJ/mol	[423.80; 423.80]
ΔfusH	39.62	kJ/mol	423.80	NIST
ΔfusH	39.62	kJ/mol	423.80	NIST

Similar Compounds

Find more compounds similar to Carbamic acid, (3-methylphenyl)-, 3-[(methoxycarbonyl)amino]phenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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