Chemical Properties of Succinic acid, 3,5-dinitro-4-methylbenzyl pentyl ester

InChI

InChI=1S/C17H22N2O8/c1-3-4-5-8-26-16(20)6-7-17(21)27-11-13-9-14(18(22)23)12(2)15(10-13)19(24)25/h9-10H,3-8,11H2,1-2H3

InChI Key

YIQXSGUOBDRXPU-UHFFFAOYSA-N

Formula

C17H22N2O8

SMILES

CCCCCOC(=O)CCC(=O)OCc1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1

Molecular Weight¹

382.37

• 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°	-220.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-703.21	kJ/mol	Joback Calculated Property
ΔfusH°	60.96	kJ/mol	Joback Calculated Property
ΔvapH°	109.19	kJ/mol	Joback Calculated Property
log10WS	-5.62		Crippen Calculated Property
logPoct/wat	3.368		Crippen Calculated Property
McVol	276.350	ml/mol	McGowan Calculated Property
Pc	1668.70	kPa	Joback Calculated Property
Inp	[2761.00; 2761.00]
Inp	2761.00		NIST
Inp	2761.00		NIST
Tboil	1086.24	K	Joback Calculated Property
Tc	1334.18	K	Joback Calculated Property
Tfus	776.87	K	Joback Calculated Property
Vc	1.091	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[897.13; 920.41]	J/mol×K	[1086.24; 1334.18]
Cp,gas	897.13	J/mol×K	1086.24	Joback Calculated Property
Cp,gas	904.75	J/mol×K	1127.56	Joback Calculated Property
Cp,gas	910.84	J/mol×K	1168.89	Joback Calculated Property
Cp,gas	915.42	J/mol×K	1210.21	Joback Calculated Property
Cp,gas	918.53	J/mol×K	1251.53	Joback Calculated Property
Cp,gas	920.19	J/mol×K	1292.85	Joback Calculated Property
Cp,gas	920.41	J/mol×K	1334.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3,5-dinitro-4-methylbenzyl pentyl ester.

Sources

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

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