Chemical Properties of 1-Phenyl-1-octyne

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

186.30

• ω : Acentric Factor.
• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[228.32; 561.96]	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			-2.61850e+01
Coefficient B			1.10512e+00
Coefficient C			-6.76860e-04
Coefficient D			1.59880e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	228.32	J/mol×K	273.00	Calculated Property
Cp,gas	287.15	J/mol×K	353.78	Calculated Property
Cp,gas	339.35	J/mol×K	434.56	Calculated Property
Cp,gas	385.45	J/mol×K	515.33	Calculated Property
Cp,gas	425.94	J/mol×K	596.11	Calculated Property
Cp,gas	461.32	J/mol×K	676.89	Calculated Property
Cp,gas	492.11	J/mol×K	757.67	Calculated Property
Cp,gas	518.81	J/mol×K	838.44	Calculated Property
Cp,gas	541.92	J/mol×K	919.22	Calculated Property
Cp,gas	561.96	J/mol×K	1000.00	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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