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

InChI

InChI=1S/C18H25NO6/c1-2-3-4-5-12-24-17(20)9-10-18(21)25-13-11-15-7-6-8-16(14-15)19(22)23/h6-8,14H,2-5,9-13H2,1H3

InChI Key

KXZFQAKWWLDGMV-UHFFFAOYSA-N

Formula

C18H25NO6

SMILES

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

Molecular Weight¹

351.39

• 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°	-228.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-690.15	kJ/mol	Joback Calculated Property
ΔfusH°	52.96	kJ/mol	Joback Calculated Property
ΔvapH°	93.50	kJ/mol	Joback Calculated Property
log10WS	-4.84		Crippen Calculated Property
logPoct/wat	3.584		Crippen Calculated Property
McVol	273.020	ml/mol	McGowan Calculated Property
Pc	1567.23	kPa	Joback Calculated Property
Inp	[2689.00; 2689.00]
Inp	2689.00		NIST
Inp	2689.00		NIST
Tboil	947.32	K	Joback Calculated Property
Tc	1169.79	K	Joback Calculated Property
Tfus	619.49	K	Joback Calculated Property
Vc	1.065	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[870.47; 926.47]	J/mol×K	[947.32; 1169.79]
Cp,gas	870.47	J/mol×K	947.32	Joback Calculated Property
Cp,gas	882.84	J/mol×K	984.40	Joback Calculated Property
Cp,gas	893.96	J/mol×K	1021.48	Joback Calculated Property
Cp,gas	903.85	J/mol×K	1058.56	Joback Calculated Property
Cp,gas	912.55	J/mol×K	1095.64	Joback Calculated Property
Cp,gas	920.08	J/mol×K	1132.72	Joback Calculated Property
Cp,gas	926.47	J/mol×K	1169.79	Joback Calculated Property

Similar Compounds

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

Sources

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

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