Chemical Properties of Mexacarbate (CAS 315-18-4)

InChI

InChI=1S/C12H18N2O2/c1-8-6-10(16-12(15)13-3)7-9(2)11(8)14(4)5/h6-7H,1-5H3,(H,13,15)

InChI Key

YNEVBPNZHBAYOA-UHFFFAOYSA-N

Formula

C12H16N2O2

SMILES

CNC(=O)Oc1cc(C)c(N(C)C)c(C)c1

Molecular Weight¹

220.27

CAS

315-18-4

Other Names

• Phenol, 4-(dimethylamino)-3,5-dimethyl-, methylcarbamate (ester)
• Carbamic acid, methyl-, 4-(dimethylamino)-3,5-xylyl ester
• Dowco 139
• ENT 25,766
• Mexicarbate
• Zactran
• Zectane
• Zectran
• Zextran
• 4-(Dimethylamino)-3,5-Xylyl methylcarbamate
• 4-Dimethylamino-3,5-dimethylphenyl N-methylcarbamate
• 4-Dimethylamino-3,5-xylyl N-methylcarbamate
• Phenol, 4-(dimethylamino)-3,5-dimethyl-, methylcarbamate
• Carbamate, 4-dimethylamino-3,5-xylyl N-methyl-
• Carbamic acid, methyl-, 4-(dimethylamino)-3,5-dimethylphenyl ester
• 4-(Dimethylamine)-3,5-xylyl N-methylcarbamate
• 4-(Dimethylamino)-3,5-dimethylphenol methylcarbamate
• 4-(Dimethylamino)-3,5-xylenol, methylcarbamate
• 4-(N,N-Dimethylamino)-3,5-xylyl N-methylcarbamate
• ENT 25766
• Methylcarbamic acid, 4-(dimethylamino)-3,5-xylyl ester
• Methyl-4-dimethylamino-3,5-xylyl carbamate
• Methyl-4-dimethylamino-3,5-xylyl ester of carbamic acid
• NCI-C00544
• OMS-47
• OMS 639
• 3,5-Xylenol, 4-(dimethylamino)-, methylcarbamate
• Carbamic acid, 3,5-dimethyl-4-dimethylaminophenyl ester, N-methyl

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[481.89; 557.58]	J/mol×K	[654.48; 860.54]
Cp,gas	481.89	J/mol×K	654.48	Joback Calculated Property
Cp,gas	496.54	J/mol×K	688.82	Joback Calculated Property
Cp,gas	510.35	J/mol×K	723.17	Joback Calculated Property
Cp,gas	523.34	J/mol×K	757.51	Joback Calculated Property
Cp,gas	535.53	J/mol×K	791.86	Joback Calculated Property
Cp,gas	546.94	J/mol×K	826.20	Joback Calculated Property
Cp,gas	557.58	J/mol×K	860.54	Joback Calculated Property
ΔfusH	[18.37; 18.37]	kJ/mol	[361.70; 361.70]
ΔfusH	18.37	kJ/mol	361.70	NIST
ΔfusH	18.37	kJ/mol	361.70	NIST
ΔfusH	18.37	kJ/mol	361.70	NIST

Similar Compounds

Find more compounds similar to Mexacarbate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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