Chemical Properties of Pentanedioic acid, 2-benzoylamino, dimethyl ester

InChI

InChI=1S/C14H17NO5/c1-19-12(16)9-8-11(14(18)20-2)15-13(17)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,15,17)

InChI Key

JOTSRQZZNLVBKG-UHFFFAOYSA-N

Formula

C14H17NO5

SMILES

COC(=O)CCC(NC(=O)c1ccccc1)C(=O)OC

Molecular Weight¹

279.29

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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
ΔfG°	-330.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-649.75	kJ/mol	Joback Calculated Property
ΔfusH°	34.81	kJ/mol	Joback Calculated Property
ΔvapH°	80.14	kJ/mol	Joback Calculated Property
log10WS	-2.16		Crippen Calculated Property
logPoct/wat	0.911		Crippen Calculated Property
McVol	210.790	ml/mol	McGowan Calculated Property
Pc	2367.97	kPa	Joback Calculated Property
Inp	[2110.00; 2110.00]
Inp	2110.00		NIST
Inp	2110.00		NIST
Tboil	802.58	K	Joback Calculated Property
Tc	1017.62	K	Joback Calculated Property
Tfus	505.87	K	Joback Calculated Property
Vc	0.794	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[609.10; 668.03]	J/mol×K	[802.58; 1017.62]
Cp,gas	609.10	J/mol×K	802.58	Joback Calculated Property
Cp,gas	621.48	J/mol×K	838.42	Joback Calculated Property
Cp,gas	632.82	J/mol×K	874.26	Joback Calculated Property
Cp,gas	643.13	J/mol×K	910.10	Joback Calculated Property
Cp,gas	652.43	J/mol×K	945.94	Joback Calculated Property
Cp,gas	660.72	J/mol×K	981.78	Joback Calculated Property
Cp,gas	668.03	J/mol×K	1017.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentanedioic acid, 2-benzoylamino, dimethyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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