Chemical Properties of Glutaric acid, monoamide, N-methyl-N-benzyl-, heptyl ester

InChI

InChI=1S/C20H31NO3/c1-3-4-5-6-10-16-24-20(23)15-11-14-19(22)21(2)17-18-12-8-7-9-13-18/h7-9,12-13H,3-6,10-11,14-17H2,1-2H3

InChI Key

LILVLIMWOPBRGN-UHFFFAOYSA-N

Formula

C20H31NO3

SMILES

CCCCCCCOC(=O)CCCC(=O)N(C)Cc1ccccc1

Molecular Weight¹

333.46

• ω : Acentric Factor.
• 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).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9325		Relay (1.0) Calculated Property
ΔfH°gas	-621.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.59	kJ/mol	Joback Calculated Property
ΔvapH°	101.22	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.57		Relay (1.0) Calculated Property
logPoct/wat	4.329		Crippen Calculated Property
McVol	287.890	ml/mol	McGowan Calculated Property
Pc	1331.01	kPa	Joback Calculated Property
Inp	[2648.00; 2648.00]
Inp	2648.00		NIST
Inp	2648.00		NIST
Tboil	653.11	K	Relay (1.0) Calculated Property
Tc	851.71	K	Relay (1.0) Calculated Property
Tfus	298.00	K	Relay (1.0) Calculated Property
Vc	1.075	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[405.27; 967.78]	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			-2.71200e+01
Coefficient B			1.86604e+00
Coefficient C			-1.09470e-03
Coefficient D			2.23560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	405.27	J/mol×K	273.00	Calculated Property
Cp,gas	505.93	J/mol×K	353.78	Calculated Property
Cp,gas	595.40	J/mol×K	434.56	Calculated Property
Cp,gas	674.39	J/mol×K	515.33	Calculated Property
Cp,gas	743.60	J/mol×K	596.11	Calculated Property
Cp,gas	803.75	J/mol×K	676.89	Calculated Property
Cp,gas	855.53	J/mol×K	757.67	Calculated Property
Cp,gas	899.66	J/mol×K	838.44	Calculated Property
Cp,gas	936.84	J/mol×K	919.22	Calculated Property
Cp,gas	967.78	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-methyl-N-benzyl-, heptyl ester.

Sources

• 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.
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