Chemical Properties of Nortilidate

InChI

InChI=1S/C16H23NO2/c1-3-19-15(18)16(13-9-5-4-6-10-13)12-8-7-11-14(16)17-2/h4-6,9-10,14,17H,3,7-8,11-12H2,1-2H3

InChI Key

WFQQWAVKOIPBTF-UHFFFAOYSA-N

Formula

C16H23NO2

SMILES

CCOC(=O)C1(c2ccccc2)CCCCC1NC

Molecular Weight¹

261.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	27.31	kJ/mol	Joback Calculated Property
log10WS	-2.62		Relay (1.0) Calculated Property
logPoct/wat	2.649		Crippen Calculated Property
McVol	219.100	ml/mol	McGowan Calculated Property
Inp	[1835.00; 1835.00]
Inp	1835.00		NIST
Inp	1835.00		NIST
Tfus	382.44	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[280.39; 770.32]	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			-1.31019e+02
Coefficient B			1.85384e+00
Coefficient C			-1.39000e-03
Coefficient D			4.37500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	280.39	J/mol×K	273.00	Calculated Property
Cp,gas	370.23	J/mol×K	353.78	Calculated Property
Cp,gas	447.99	J/mol×K	434.56	Calculated Property
Cp,gas	515.06	J/mol×K	515.33	Calculated Property
Cp,gas	572.82	J/mol×K	596.11	Calculated Property
Cp,gas	622.64	J/mol×K	676.89	Calculated Property
Cp,gas	665.92	J/mol×K	757.67	Calculated Property
Cp,gas	704.04	J/mol×K	838.44	Calculated Property
Cp,gas	738.38	J/mol×K	919.22	Calculated Property
Cp,gas	770.32	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Nortilidate.

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

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.
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