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

InChI

InChI=1S/C23H35NO6/c1-2-3-4-5-6-7-8-9-10-17-29-22(25)14-15-23(26)30-18-16-20-12-11-13-21(19-20)24(27)28/h11-13,19H,2-10,14-18H2,1H3

InChI Key

KZDFCVWKXZHMAT-UHFFFAOYSA-N

Formula

C23H35NO6

SMILES

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

Molecular Weight¹

421.53

• 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	1.2196		Relay (1.0) Calculated Property
ΔfG°	-186.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-884.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	65.91	kJ/mol	Joback Calculated Property
ΔvapH°	131.23	kJ/mol	Relay (1.0) Calculated Property
IE	9.28	eV	Relay (1.0) Calculated Property
log10WS	-6.30		Relay (1.0) Calculated Property
logPoct/wat	5.535		Crippen Calculated Property
McVol	343.470	ml/mol	McGowan Calculated Property
Pc	1106.68	kPa	Joback Calculated Property
Inp	[3182.00; 3182.00]
Inp	3182.00		NIST
Inp	3182.00		NIST
Tboil	686.10	K	Relay (1.0) Calculated Property
Tc	916.99	K	Relay (1.0) Calculated Property
Tfus	306.79	K	Relay (1.0) Calculated Property
Vc	1.270	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1169.01; 1224.35]	J/mol×K	[1061.72; 1300.03]
Cp,gas	1169.01	J/mol×K	1061.72	Joback Calculated Property
Cp,gas	1181.96	J/mol×K	1101.44	Joback Calculated Property
Cp,gas	1193.35	J/mol×K	1141.16	Joback Calculated Property
Cp,gas	1203.22	J/mol×K	1180.88	Joback Calculated Property
Cp,gas	1211.64	J/mol×K	1220.59	Joback Calculated Property
Cp,gas	1218.67	J/mol×K	1260.31	Joback Calculated Property
Cp,gas	1224.35	J/mol×K	1300.03	Joback Calculated Property

Similar Compounds

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

Sources

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

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