Chemical Properties of GALLOPAMIL, M(N-BIS-DESALKYL-), AC

InChI

InChI=1S/C19H28N2O4/c1-13(2)19(12-20,8-7-9-21-14(3)22)15-10-16(23-4)18(25-6)17(11-15)24-5/h10-11,13H,7-9H2,1-6H3,(H,21,22)

InChI Key

FDGIVHXEKCWGFY-UHFFFAOYSA-N

Formula

C19H28N2O4

SMILES

COc1cc(C(C#N)(CCCNC(C)=O)C(C)C)cc(OC)c1OC

Molecular Weight¹

348.44

• 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°	38.67	kJ/mol	Joback Calculated Property
log10WS	-3.33		Relay (1.0) Calculated Property
logPoct/wat	3.046		Crippen Calculated Property
McVol	285.350	ml/mol	McGowan Calculated Property
Inp	[2500.00; 2500.00]
Inp	2500.00		NIST
Inp	2500.00		NIST
Tfus	414.87	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	[421.86; 931.80]	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			6.81030e+01
Coefficient B			1.47662e+00
Coefficient C			-6.80780e-04
Coefficient D			6.78600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	421.86	J/mol×K	273.00	Calculated Property
Cp,gas	508.30	J/mol×K	353.78	Calculated Property
Cp,gas	586.79	J/mol×K	434.56	Calculated Property
Cp,gas	657.55	J/mol×K	515.33	Calculated Property
Cp,gas	720.79	J/mol×K	596.11	Calculated Property
Cp,gas	776.74	J/mol×K	676.89	Calculated Property
Cp,gas	825.60	J/mol×K	757.67	Calculated Property
Cp,gas	867.58	J/mol×K	838.44	Calculated Property
Cp,gas	902.91	J/mol×K	919.22	Calculated Property
Cp,gas	931.80	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to GALLOPAMIL, M(N-BIS-DESALKYL-), 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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