Chemical Properties of Tybamate (CAS 4268-36-4)

InChI

InChI=1S/C13H26N2O4/c1-4-6-8-15-12(17)19-10-13(3,7-5-2)9-18-11(14)16/h4-10H2,1-3H3,(H2,14,16)(H,15,17)

InChI Key

PRBORDFJHHAISJ-UHFFFAOYSA-N

Formula

C13H26N2O4

SMILES

CCCCNC(=O)OCC(C)(CCC)COC(N)=O

Molecular Weight¹

274.36

CAS

4268-36-4

Other Names

• 1,3-Propanediol, 2-methyl-2-propyl-, butylcarbamate carbamate
• 1,3-Propanediol, 2-methyl-2-propyl-n-butyldicarbamate
• 2-(Hydroxymethyl)-2-(methylpentyl) butylcarbamate carbamate
• 2-Methyl-2-Propyltrimethylene butylcarbamate carbamate
• 2-Methyl-2-propyl-1,3-propanediol butylcarbamate carbamate
• Benvil
• Carbamic acid, butyl-, 2-(hydroxymethyl)-2-methylpentyl ester carbamate
• Carbamic acid, butyl-, 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester)
• Carbamic acid, butyl-, 2-[[(aminocarbonyl)oxy]methyl]-2-methylpentyl ester
• Carbamic acid, butyl-, 3-hydroxy-2-methyl-2-propyl carbamate ester
• Carbamic acid, butyl-, ester with 2-(hydroxymethyl)-2-methylpentyl carbamate
• Carbamic acid, ester with 2-(hydroxymethyl)-2-methylpentyl butylcarbamate
• Carbamic acid, ester with 2-methyl-2-propyl-1,3-propanediol butylcarbamate
• Depran
• Effisax
• Idalene
• N-n-Butyl-2-methyl-2-propyl-1,3-propanediol dicarbamate
• NSC 172126
• Nospan
• Reposan
• Solacen
• Solacin
• Tibamate
• Tibamato
• Tibamax
• Tybatran
• W 713
• n-Butyl-2-methyl-2-propyl-1,3-propanediol dicarbamate

• 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).
• 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, Ionization energy 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[349.03; 780.56]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.26970e+01
Coefficient B			1.39316e+00
Coefficient C			-7.58000e-04
Coefficient D			1.22700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	349.03	J/mol×K	273.00	Calculated Property
Cp,gas	426.13	J/mol×K	353.78	Calculated Property
Cp,gas	495.03	J/mol×K	434.56	Calculated Property
Cp,gas	556.13	J/mol×K	515.33	Calculated Property
Cp,gas	609.81	J/mol×K	596.11	Calculated Property
Cp,gas	656.47	J/mol×K	676.89	Calculated Property
Cp,gas	696.48	J/mol×K	757.67	Calculated Property
Cp,gas	730.24	J/mol×K	838.44	Calculated Property
Cp,gas	758.14	J/mol×K	919.22	Calculated Property
Cp,gas	780.56	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Tybamate.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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