Chemical Properties of Phenol, 4-(dimethylamino)-3,5-dimethyl-, methylcarbamate (ester)

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

C12H18N2O2

SMILES

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

Molecular Weight¹

222.29

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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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 Phenol, 4-(dimethylamino)-3,5-dimethyl-, methylcarbamate (ester).

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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