Chemical Properties of Succinic acid, butyl 2-nitrophenethyl ester

InChI

InChI=1S/C16H21NO6/c1-2-3-11-22-15(18)8-9-16(19)23-12-10-13-6-4-5-7-14(13)17(20)21/h4-7H,2-3,8-12H2,1H3

InChI Key

VHWPQQSKKHCWRQ-UHFFFAOYSA-N

Formula

C16H21NO6

SMILES

CCCCOC(=O)CCC(=O)OCCc1ccccc1[N+](=O)[O-]

Molecular Weight¹

323.34

• 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	0.9462		Relay (1.0) Calculated Property
ΔfG°	-245.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-728.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.78	kJ/mol	Joback Calculated Property
ΔvapH°	103.66	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-3.88		Relay (1.0) Calculated Property
logPoct/wat	2.804		Crippen Calculated Property
McVol	244.840	ml/mol	McGowan Calculated Property
Pc	1835.69	kPa	Joback Calculated Property
Inp	[2412.00; 2412.00]
Inp	2412.00		NIST
Inp	2412.00		NIST
Tboil	633.56	K	Relay (1.0) Calculated Property
Tc	860.79	K	Relay (1.0) Calculated Property
Tfus	284.47	K	Relay (1.0) Calculated Property
Vc	0.892	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[754.95; 810.33]	J/mol×K	[901.56; 1124.04]
Cp,gas	754.95	J/mol×K	901.56	Joback Calculated Property
Cp,gas	767.04	J/mol×K	938.64	Joback Calculated Property
Cp,gas	777.96	J/mol×K	975.72	Joback Calculated Property
Cp,gas	787.73	J/mol×K	1012.80	Joback Calculated Property
Cp,gas	796.37	J/mol×K	1049.88	Joback Calculated Property
Cp,gas	803.89	J/mol×K	1086.96	Joback Calculated Property
Cp,gas	810.33	J/mol×K	1124.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, butyl 2-nitrophenethyl ester.

Sources

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

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