Chemical Properties of 1-Pentanol, 3-methyl-2-phenyl- (CAS 36748-84-2)

InChI

InChI=1S/C12H18O/c1-3-10(2)12(9-13)11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3

InChI Key

BPCBJIKKAINGQY-UHFFFAOYSA-N

Formula

C12H18O

SMILES

CCC(C)C(C[O])c1ccccc1

Molecular Weight¹

178.27

CAS

36748-84-2

• 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 1-Pentanol, 3-methyl-2-phenyl-.

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
• McGowan Method
• NIST Webbook

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