Chemical Properties of Dosulepin-M (nor-) AC

InChI

InChI=1S/C20H21NOS/c1-15(22)21(2)13-7-11-18-17-9-4-3-8-16(17)14-23-20-12-6-5-10-19(18)20/h3-6,8-12H,7,13-14H2,1-2H3

InChI Key

FNBUQFXNKCKNGO-WQRHYEAKSA-N

Formula

C20H21NOS

SMILES

CC(=O)N(C)CC/C=C1/c2ccccc2CSc2ccccc21

Molecular Weight¹

323.46

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• 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°	40.52	kJ/mol	Joback Calculated Property
IE	7.87	eV	Relay (1.0) Calculated Property
log10WS	-3.94		Relay (1.0) Calculated Property
logPoct/wat	4.592		Crippen Calculated Property
McVol	257.880	ml/mol	McGowan Calculated Property
Inp	[2820.00; 2820.00]
Inp	2820.00		NIST
Inp	2820.00		NIST
Tfus	393.50	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 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	[327.92; 800.49]	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			-8.10980e+01
Coefficient B			1.83725e+00
Coefficient C			-1.34922e-03
Coefficient D			3.93560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	327.92	J/mol×K	273.00	Calculated Property
Cp,gas	417.44	J/mol×K	353.78	Calculated Property
Cp,gas	494.80	J/mol×K	434.56	Calculated Property
Cp,gas	561.25	J/mol×K	515.33	Calculated Property
Cp,gas	618.03	J/mol×K	596.11	Calculated Property
Cp,gas	666.39	J/mol×K	676.89	Calculated Property
Cp,gas	707.57	J/mol×K	757.67	Calculated Property
Cp,gas	742.82	J/mol×K	838.44	Calculated Property
Cp,gas	773.38	J/mol×K	919.22	Calculated Property
Cp,gas	800.49	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Dosulepin-M (nor-) AC.

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.
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