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

InChI

InChI=1S/C19H27NO6/c1-5-6-17(13(2)3)26-19(22)10-9-18(21)25-12-15-8-7-14(4)16(11-15)20(23)24/h7-8,11,13,17H,5-6,9-10,12H2,1-4H3

InChI Key

GAJAFEPTQNTALM-UHFFFAOYSA-N

Formula

C19H27NO6

SMILES

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

Molecular Weight¹

365.42

• 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°	-234.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-732.82	kJ/mol	Joback Calculated Property
ΔfusH°	48.12	kJ/mol	Joback Calculated Property
ΔvapH°	95.61	kJ/mol	Joback Calculated Property
log10WS	-5.68		Crippen Calculated Property
logPoct/wat	4.095		Crippen Calculated Property
McVol	287.110	ml/mol	McGowan Calculated Property
Pc	1455.68	kPa	Joback Calculated Property
Inp	[2588.00; 2588.00]
Inp	2588.00		NIST
Inp	2588.00		NIST
Tboil	974.30	K	Joback Calculated Property
Tc	1201.77	K	Joback Calculated Property
Tfus	613.28	K	Joback Calculated Property
Vc	1.109	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[928.74; 982.75]	J/mol×K	[974.30; 1201.77]
Cp,gas	928.74	J/mol×K	974.30	Joback Calculated Property
Cp,gas	941.13	J/mol×K	1012.21	Joback Calculated Property
Cp,gas	952.13	J/mol×K	1050.12	Joback Calculated Property
Cp,gas	961.77	J/mol×K	1088.03	Joback Calculated Property
Cp,gas	970.07	J/mol×K	1125.95	Joback Calculated Property
Cp,gas	977.05	J/mol×K	1163.86	Joback Calculated Property
Cp,gas	982.75	J/mol×K	1201.77	Joback Calculated Property

Similar Compounds

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

Sources

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

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