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

InChI

InChI=1S/C19H27NO6/c1-4-6-17(14(2)3)26-19(22)10-9-18(21)25-12-11-15-7-5-8-16(13-15)20(23)24/h5,7-8,13-14,17H,4,6,9-12H2,1-3H3

InChI Key

NPCPBYTWGKCAHX-UHFFFAOYSA-N

Formula

C19H27NO6

SMILES

CCCC(OC(=O)CCC(=O)OCCc1cccc([N+](=O)[O-])c1)C(C)C

Molecular Weight¹

365.42

• 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	0.9746		Relay (1.0) Calculated Property
ΔfG°	-225.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-805.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.51	kJ/mol	Joback Calculated Property
ΔvapH°	111.20	kJ/mol	Relay (1.0) Calculated Property
IE	9.24	eV	Relay (1.0) Calculated Property
log10WS	-4.49		Relay (1.0) Calculated Property
logPoct/wat	3.829		Crippen Calculated Property
McVol	287.110	ml/mol	McGowan Calculated Property
Pc	1472.49	kPa	Joback Calculated Property
Inp	[2641.00; 2641.00]
Inp	2641.00		NIST
Inp	2641.00		NIST
Tboil	653.64	K	Relay (1.0) Calculated Property
Tc	880.92	K	Relay (1.0) Calculated Property
Tfus	293.99	K	Relay (1.0) Calculated Property
Vc	1.022	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[930.05; 985.50]	J/mol×K	[969.32; 1195.93]
Cp,gas	930.05	J/mol×K	969.32	Joback Calculated Property
Cp,gas	942.58	J/mol×K	1007.09	Joback Calculated Property
Cp,gas	953.75	J/mol×K	1044.86	Joback Calculated Property
Cp,gas	963.59	J/mol×K	1082.62	Joback Calculated Property
Cp,gas	972.14	J/mol×K	1120.39	Joback Calculated Property
Cp,gas	979.43	J/mol×K	1158.16	Joback Calculated Property
Cp,gas	985.50	J/mol×K	1195.93	Joback Calculated Property

Similar Compounds

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

Sources

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

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