Chemical Properties of Succinic acid, 3,5-dinitrobenzyl 2-methylhex-3-yl ester

InChI

InChI=1S/C18H24N2O8/c1-4-5-16(12(2)3)28-18(22)7-6-17(21)27-11-13-8-14(19(23)24)10-15(9-13)20(25)26/h8-10,12,16H,4-7,11H2,1-3H3

InChI Key

PDSDIXGLHWKOMJ-UHFFFAOYSA-N

Formula

C18H24N2O8

SMILES

CCCC(OC(=O)CCC(=O)OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(C)C

Molecular Weight¹

396.39

• 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	1.0675		Relay (1.0) Calculated Property
ΔfG°	-207.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-780.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.89	kJ/mol	Joback Calculated Property
ΔvapH°	110.31	kJ/mol	Relay (1.0) Calculated Property
IE	9.77	eV	Relay (1.0) Calculated Property
log10WS	-4.78		Relay (1.0) Calculated Property
logPoct/wat	3.694		Crippen Calculated Property
McVol	290.440	ml/mol	McGowan Calculated Property
Pc	1583.49	kPa	Joback Calculated Property
Inp	[2809.00; 2809.00]
Inp	2809.00		NIST
Inp	2809.00		NIST
Tboil	643.64	K	Relay (1.0) Calculated Property
Tc	924.02	K	Relay (1.0) Calculated Property
Tfus	320.10	K	Relay (1.0) Calculated Property
Vc	1.018	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[957.85; 981.12]	J/mol×K	[1103.26; 1354.58]
Cp,gas	957.85	J/mol×K	1103.26	Joback Calculated Property
Cp,gas	965.53	J/mol×K	1145.15	Joback Calculated Property
Cp,gas	971.64	J/mol×K	1187.03	Joback Calculated Property
Cp,gas	976.21	J/mol×K	1228.92	Joback Calculated Property
Cp,gas	979.29	J/mol×K	1270.81	Joback Calculated Property
Cp,gas	980.91	J/mol×K	1312.70	Joback Calculated Property
Cp,gas	981.12	J/mol×K	1354.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3,5-dinitrobenzyl 2-methylhex-3-yl ester.

Sources

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

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