Chemical Properties of 1-Phenyl-1-octyne (CAS 16967-02-5)

InChI

InChI=1S/C14H18/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6H2,1H3

InChI Key

YVCYLGYUDUYFQZ-UHFFFAOYSA-N

Formula

C14H18

SMILES

CCCCCCC#Cc1ccccc1

Molecular Weight¹

186.29

CAS

16967-02-5

• ω : Acentric Factor.
• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[406.20; 497.72]	J/mol×K	[555.40; 773.72]
Cp,gas	406.20	J/mol×K	555.40	Joback Calculated Property
Cp,gas	423.90	J/mol×K	591.79	Joback Calculated Property
Cp,gas	440.56	J/mol×K	628.17	Joback Calculated Property
Cp,gas	456.23	J/mol×K	664.56	Joback Calculated Property
Cp,gas	470.95	J/mol×K	700.94	Joback Calculated Property
Cp,gas	484.76	J/mol×K	737.33	Joback Calculated Property
Cp,gas	497.72	J/mol×K	773.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Phenyl-1-octyne.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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