Chemical Properties of Benzene, 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)- (CAS 2094-99-7)

InChI

InChI=1S/C13H15NO/c1-10(2)11-6-5-7-12(8-11)13(3,4)14-9-15/h5-8H,1H2,2-4H3

InChI Key

ZVEMLYIXBCTVOF-UHFFFAOYSA-N

Formula

C13H15NO

SMILES

C=C(C)c1cccc(C(C)(C)N=C=O)c1

Molecular Weight¹

201.26

CAS

2094-99-7

Other Names

• 3-Isopropenyl-«alpha»,«alpha»-dimethylbenzyl isocyanate
• alpha,alpha-Dimethyl meta-isopropenyl benzyl isocyanate
• 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• 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

Similar Compounds

Find more compounds similar to Benzene, 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-.

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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