Chemical Properties of C13H13NO (CAS 13658-18-9)

InChI

InChI=1S/C13H13NO/c14-9-11-7-4-8-12(13(11)15)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-8H2

InChI Key

IKVQMASZSHOPRA-UHFFFAOYSA-N

Formula

C13H13NO

SMILES

N#CC1CCCC(c2ccccc2)C1=O

Molecular Weight¹

199.25

CAS

13658-18-9

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[195.90; 538.83]	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			-4.90700e+01
Coefficient B			1.02200e+00
Coefficient C			-4.65200e-04
Coefficient D			3.11000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.90	J/mol×K	273.00	Calculated Property
Cp,gas	255.64	J/mol×K	353.78	Calculated Property
Cp,gas	309.75	J/mol×K	434.56	Calculated Property
Cp,gas	358.31	J/mol×K	515.33	Calculated Property
Cp,gas	401.44	J/mol×K	596.11	Calculated Property
Cp,gas	439.21	J/mol×K	676.89	Calculated Property
Cp,gas	471.74	J/mol×K	757.67	Calculated Property
Cp,gas	499.12	J/mol×K	838.44	Calculated Property
Cp,gas	521.45	J/mol×K	919.22	Calculated Property
Cp,gas	538.83	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to C13H13NO.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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