Chemical Properties of 6-Phenyl-5-hexyn-3-ol (CAS 135663-98-8)

InChI

InChI=1S/C12H14O/c1-2-12(13)10-6-9-11-7-4-3-5-8-11/h3-5,7-8,12-13H,2,10H2,1H3

InChI Key

JVUYLVMRBQNROA-UHFFFAOYSA-N

Formula

C12H14O

SMILES

CCC(O)CC#Cc1ccccc1

Molecular Weight¹

174.24

CAS

135663-98-8

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[367.60; 436.63]	J/mol×K	[601.38; 814.92]
Cp,gas	367.60	J/mol×K	601.38	Joback Calculated Property
Cp,gas	381.02	J/mol×K	636.97	Joback Calculated Property
Cp,gas	393.63	J/mol×K	672.56	Joback Calculated Property
Cp,gas	405.45	J/mol×K	708.15	Joback Calculated Property
Cp,gas	416.53	J/mol×K	743.74	Joback Calculated Property
Cp,gas	426.91	J/mol×K	779.33	Joback Calculated Property
Cp,gas	436.63	J/mol×K	814.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-Phenyl-5-hexyn-3-ol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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