Chemical Properties of Succinic acid, 3-methylbut-2-yl 3-nitrophenyl ester

InChI

InChI=1S/C15H19NO6/c1-10(2)11(3)21-14(17)7-8-15(18)22-13-6-4-5-12(9-13)16(19)20/h4-6,9-11H,7-8H2,1-3H3

InChI Key

DVBBXHNIOZBFNH-UHFFFAOYSA-N

Formula

C15H19NO6

SMILES

CC(C)C(C)OC(=O)CCC(=O)Oc1cccc([N+](=O)[O-])c1

Molecular Weight¹

309.31

• 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	0.8524		Relay (1.0) Calculated Property
ΔfG°	-258.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-741.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.15	kJ/mol	Joback Calculated Property
ΔvapH°	96.03	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-3.78		Relay (1.0) Calculated Property
logPoct/wat	2.868		Crippen Calculated Property
McVol	230.750	ml/mol	McGowan Calculated Property
Pc	2025.41	kPa	Joback Calculated Property
Inp	[2313.00; 2313.00]
Inp	2313.00		NIST
Inp	2313.00		NIST
Tboil	611.82	K	Relay (1.0) Calculated Property
Tc	855.74	K	Relay (1.0) Calculated Property
Tfus	343.98	K	Relay (1.0) Calculated Property
Vc	0.821	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[699.38; 754.35]	J/mol×K	[877.80; 1107.20]
Cp,gas	699.38	J/mol×K	877.80	Joback Calculated Property
Cp,gas	711.54	J/mol×K	916.03	Joback Calculated Property
Cp,gas	722.47	J/mol×K	954.27	Joback Calculated Property
Cp,gas	732.20	J/mol×K	992.50	Joback Calculated Property
Cp,gas	740.74	J/mol×K	1030.73	Joback Calculated Property
Cp,gas	748.12	J/mol×K	1068.96	Joback Calculated Property
Cp,gas	754.35	J/mol×K	1107.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-yl 3-nitrophenyl ester.

Sources

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

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