Chemical Properties of Karbutilate (CAS 4849-32-5)

InChI

InChI=1S/C14H21N3O3/c1-14(2,3)16-13(19)20-11-8-6-7-10(9-11)15-12(18)17(4)5/h6-9H,1-5H3,(H,15,18)(H,16,19)

InChI Key

OWNAXTAAAQTBSP-UHFFFAOYSA-N

Formula

C14H21N3O3

SMILES

CN(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1

Molecular Weight¹

279.33

CAS

4849-32-5

Other Names

• Carbamic acid, (1,1-dimethylethyl)-, 3-[[(dimethylamino)carbonyl]amino]phenyl ester
• Carbamic acid, tert-butyl-, ester with 3-(m-hydroxyphenyl)-1,1-dimethylurea
• m-(3,3-Dimethylureido)phenyl tert-butylcarbamate
• Carbamic acid, tert-butyl-, m-(3,3-dimethylureido)phenyl ester
• NIA 11092
• Tandex
• Tendex
• 3-(3,3-Dimethylureido)Phenyl tert-butylcarbamate
• 3-(3,3-Dimethylureido)phenyl N-tert-butylcarbamate
• m-(3,3-Dimethylharnstoff)-phenyl-tert-butylcarbamat
• tert-Butylcarbamic acid ester with 3-(m-hydroxyphenyl-1,1-dimethylurea
• tert-Butylcarbamic acid, ester of 3-(m-hydroxyphenyl)-1,1-dimethylurea
• FMC 11092
• 1,1-Dimethyl-3-(3-(N-tert-butylcarbamyloxy)phenyl)urea
• 3-(((Dimethylamino)carbonyl)amino)phenyl (1,1-dimethylethyl)carbamate
• Carbutilate
• Karbutylate
• 1,1-Dimethyl-3-[3-(N-tert-butylcarbamoyloxy)phenyl]urea
• NSC 222508

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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	[658.70; 727.24]	J/mol×K	[773.22; 986.60]
Cp,gas	658.70	J/mol×K	773.22	Joback Calculated Property
Cp,gas	672.68	J/mol×K	808.78	Joback Calculated Property
Cp,gas	685.56	J/mol×K	844.35	Joback Calculated Property
Cp,gas	697.40	J/mol×K	879.91	Joback Calculated Property
Cp,gas	708.25	J/mol×K	915.48	Joback Calculated Property
Cp,gas	718.18	J/mol×K	951.04	Joback Calculated Property
Cp,gas	727.24	J/mol×K	986.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Karbutilate.

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

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.
These property values are available through the Cheméo API. A free account gives you an access key.