Chemical Properties of 4-CH3O-C6H4-CCH

InChI

InChI=1S/C9H8O/c1-3-8-4-6-9(10-2)7-5-8/h1,4-7H,2H3

InChI Key

KBIAVTUACPKPFJ-UHFFFAOYSA-N

Formula

C9H8O

SMILES

C#Cc1ccc(OC)cc1

Molecular Weight¹

132.16

Other Names

• 4-Methoxyphenylacetylene

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, 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	[145.92; 322.90]	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			1.43800e+01
Coefficient B			5.63320e-01
Coefficient C			-3.14890e-04
Coefficient D			6.00900e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	145.92	J/mol×K	273.00	Calculated Property
Cp,gas	176.92	J/mol×K	353.78	Calculated Property
Cp,gas	204.64	J/mol×K	434.56	Calculated Property
Cp,gas	229.28	J/mol×K	515.33	Calculated Property
Cp,gas	251.01	J/mol×K	596.11	Calculated Property
Cp,gas	270.05	J/mol×K	676.89	Calculated Property
Cp,gas	286.56	J/mol×K	757.67	Calculated Property
Cp,gas	300.75	J/mol×K	838.44	Calculated Property
Cp,gas	312.80	J/mol×K	919.22	Calculated Property
Cp,gas	322.90	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-CH3O-C6H4-CCH.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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