Chemical Properties of Glutaric acid, monoamide, N-(2-bromophenyl)-, ethyl ester

InChI

InChI=1S/C13H16BrNO3/c1-2-18-13(17)9-5-8-12(16)15-11-7-4-3-6-10(11)14/h3-4,6-7H,2,5,8-9H2,1H3,(H,15,16)

InChI Key

SYGUIOVDNZFGAB-UHFFFAOYSA-N

Formula

C13H16BrNO3

SMILES

CCOC(=O)CCCC(=O)Nc1ccccc1Br

Molecular Weight¹

314.18

• ω : Acentric Factor.
• 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).
• 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).
• 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	0.7422		Relay (1.0) Calculated Property
ΔfG°	-97.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-515.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.85	kJ/mol	Joback Calculated Property
ΔvapH°	93.99	kJ/mol	Relay (1.0) Calculated Property
IE	8.28	eV	Relay (1.0) Calculated Property
log10WS	-3.23		Relay (1.0) Calculated Property
logPoct/wat	3.121		Crippen Calculated Property
McVol	206.760	ml/mol	McGowan Calculated Property
Pc	2605.74	kPa	Joback Calculated Property
Inp	[2439.00; 2439.00]
Inp	2439.00		NIST
Inp	2439.00		NIST
Tboil	623.33	K	Relay (1.0) Calculated Property
Tc	851.86	K	Relay (1.0) Calculated Property
Tfus	342.27	K	Relay (1.0) Calculated Property
Vc	0.732	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[549.80; 610.02]	J/mol×K	[774.99; 995.53]
Cp,gas	549.80	J/mol×K	774.99	Joback Calculated Property
Cp,gas	562.00	J/mol×K	811.75	Joback Calculated Property
Cp,gas	573.29	J/mol×K	848.50	Joback Calculated Property
Cp,gas	583.70	J/mol×K	885.26	Joback Calculated Property
Cp,gas	593.27	J/mol×K	922.02	Joback Calculated Property
Cp,gas	602.03	J/mol×K	958.77	Joback Calculated Property
Cp,gas	610.02	J/mol×K	995.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-(2-bromophenyl)-, ethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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