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

InChI

InChI=1S/C20H29NO6/c1-3-4-5-6-7-8-10-16(2)26-19(22)13-14-20(23)27-18-12-9-11-17(15-18)21(24)25/h9,11-12,15-16H,3-8,10,13-14H2,1-2H3

InChI Key

OZZPKQQZGKZSHZ-UHFFFAOYSA-N

Formula

C20H29NO6

SMILES

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

Molecular Weight¹

379.45

• 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°	-214.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-736.71	kJ/mol	Joback Calculated Property
ΔfusH°	54.62	kJ/mol	Joback Calculated Property
ΔvapH°	97.57	kJ/mol	Joback Calculated Property
log10WS	-6.43		Crippen Calculated Property
logPoct/wat	4.963		Crippen Calculated Property
McVol	301.200	ml/mol	McGowan Calculated Property
Pc	1361.64	kPa	Joback Calculated Property
Inp	[2831.00; 2831.00]
Inp	2831.00		NIST
Inp	2831.00		NIST
Tboil	992.64	K	Joback Calculated Property
Tc	1219.48	K	Joback Calculated Property
Tfus	627.03	K	Joback Calculated Property
Vc	1.171	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[988.83; 1044.43]	J/mol×K	[992.64; 1219.48]
Cp,gas	988.83	J/mol×K	992.64	Joback Calculated Property
Cp,gas	1001.42	J/mol×K	1030.45	Joback Calculated Property
Cp,gas	1012.62	J/mol×K	1068.25	Joback Calculated Property
Cp,gas	1022.49	J/mol×K	1106.06	Joback Calculated Property
Cp,gas	1031.05	J/mol×K	1143.87	Joback Calculated Property
Cp,gas	1038.35	J/mol×K	1181.67	Joback Calculated Property
Cp,gas	1044.43	J/mol×K	1219.48	Joback Calculated Property

Similar Compounds

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

Sources

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

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