Chemical Properties of Naphthalene, 1,8-di-1-propynyl- (CAS 22360-77-6)

InChI

InChI=1S/C16H12/c1-3-7-13-9-5-11-15-12-6-10-14(8-4-2)16(13)15/h5-6,9-12H,1-2H3

InChI Key

GJRLHJRIHBWMNG-UHFFFAOYSA-N

Formula

C16H12

SMILES

CC#Cc1cccc2cccc(C#CC)c12

Molecular Weight¹

204.27

CAS

22360-77-6

Other Names

• 1,8-Bis(1-propynyl)naphthalene
• 1,8-Di-1-propynylnaphthalene

• 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, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[217.95; 507.15]	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			-1.32900e+01
Coefficient B			1.02264e+00
Coefficient C			-6.96160e-04
Coefficient D			1.93960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	217.95	J/mol×K	273.00	Calculated Property
Cp,gas	269.96	J/mol×K	353.78	Calculated Property
Cp,gas	315.56	J/mol×K	434.56	Calculated Property
Cp,gas	355.38	J/mol×K	515.33	Calculated Property
Cp,gas	390.02	J/mol×K	596.11	Calculated Property
Cp,gas	420.11	J/mol×K	676.89	Calculated Property
Cp,gas	446.26	J/mol×K	757.67	Calculated Property
Cp,gas	469.07	J/mol×K	838.44	Calculated Property
Cp,gas	489.16	J/mol×K	919.22	Calculated Property
Cp,gas	507.15	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 1,8-di-1-propynyl-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.