Chemical Properties of Succinic acid, 2-(3-nitrophenyl)ethyl propyl ester

InChI

InChI=1S/C15H19NO6/c1-2-9-21-14(17)6-7-15(18)22-10-8-12-4-3-5-13(11-12)16(19)20/h3-5,11H,2,6-10H2,1H3

InChI Key

OERSCNCJQXXKSU-UHFFFAOYSA-N

Formula

C15H19NO6

SMILES

CCCOC(=O)CCC(=O)OCCc1cccc([N+](=O)[O-])c1

Molecular Weight¹

309.31

• 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°	-254.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-628.23	kJ/mol	Joback Calculated Property
ΔfusH°	45.19	kJ/mol	Joback Calculated Property
ΔvapH°	86.82	kJ/mol	Joback Calculated Property
log10WS	-3.58		Crippen Calculated Property
logPoct/wat	2.414		Crippen Calculated Property
McVol	230.750	ml/mol	McGowan Calculated Property
Pc	1996.55	kPa	Joback Calculated Property
Inp	[2385.00; 2385.00]
Inp	2385.00		NIST
Inp	2385.00		NIST
Tboil	878.68	K	Joback Calculated Property
Tc	1102.32	K	Joback Calculated Property
Tfus	585.68	K	Joback Calculated Property
Vc	0.897	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[698.25; 753.04]	J/mol×K	[878.68; 1102.32]
Cp,gas	698.25	J/mol×K	878.68	Joback Calculated Property
Cp,gas	710.17	J/mol×K	915.95	Joback Calculated Property
Cp,gas	720.95	J/mol×K	953.23	Joback Calculated Property
Cp,gas	730.61	J/mol×K	990.50	Joback Calculated Property
Cp,gas	739.17	J/mol×K	1027.77	Joback Calculated Property
Cp,gas	746.64	J/mol×K	1065.04	Joback Calculated Property
Cp,gas	753.04	J/mol×K	1102.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-(3-nitrophenyl)ethyl propyl ester.

Sources

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

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