Chemical Properties of Succinic acid, 4-methoxy-3-nitrobenzyl 2-methylhex-3-yl ester

InChI

InChI=1S/C19H27NO7/c1-5-6-16(13(2)3)27-19(22)10-9-18(21)26-12-14-7-8-17(25-4)15(11-14)20(23)24/h7-8,11,13,16H,5-6,9-10,12H2,1-4H3

InChI Key

XBLWESJOPLAZNK-UHFFFAOYSA-N

Formula

C19H27NO7

SMILES

CCCC(OC(=O)CCC(=O)OCc1ccc(OC)c([N+](=O)[O-])c1)C(C)C

Molecular Weight¹

381.42

• 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°	-339.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-865.04	kJ/mol	Joback Calculated Property
ΔfusH°	49.31	kJ/mol	Joback Calculated Property
ΔvapH°	98.02	kJ/mol	Joback Calculated Property
log10WS	-5.32		Crippen Calculated Property
logPoct/wat	3.795		Crippen Calculated Property
McVol	292.980	ml/mol	McGowan Calculated Property
Pc	1436.98	kPa	Joback Calculated Property
Inp	[2784.00; 2784.00]
Inp	2784.00		NIST
Inp	2784.00		NIST
Tboil	996.72	K	Joback Calculated Property
Tc	1225.89	K	Joback Calculated Property
Tfus	635.51	K	Joback Calculated Property
Vc	1.127	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[954.76; 999.60]	J/mol×K	[996.72; 1225.89]
Cp,gas	954.76	J/mol×K	996.72	Joback Calculated Property
Cp,gas	966.12	J/mol×K	1034.91	Joback Calculated Property
Cp,gas	975.92	J/mol×K	1073.11	Joback Calculated Property
Cp,gas	984.16	J/mol×K	1111.30	Joback Calculated Property
Cp,gas	990.84	J/mol×K	1149.50	Joback Calculated Property
Cp,gas	995.99	J/mol×K	1187.69	Joback Calculated Property
Cp,gas	999.60	J/mol×K	1225.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-methoxy-3-nitrobenzyl 2-methylhex-3-yl ester.

Sources

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

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