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

• 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°	0.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-306.11	kJ/mol	Joback Calculated Property
ΔfusH°	40.27	kJ/mol	Joback Calculated Property
ΔvapH°	88.27	kJ/mol	Joback Calculated Property
log10WS	[-4.80; -4.79]
log10WS	-4.79		Aq. Sol...
log10WS	-4.80		Estimat...
logPoct/wat	3.784		Crippen Calculated Property
McVol	223.620	ml/mol	McGowan Calculated Property
Pc	2490.03	kPa	Joback Calculated Property
Tboil	881.72	K	Joback Calculated Property
Tc	1115.72	K	Joback Calculated Property
Tfus	[423.90; 424.48]	K
Tfus	424.48 ± 0.20	K	NIST
Tfus	423.90 ± 0.20	K	NIST
Vc	0.834	m3/kmol	Joback 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

• Crippen Method
• Joback 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.