Chemical Properties of Succinic acid, heptyl 3-methyl-4-nitrobenzyl ester

InChI

InChI=1S/C19H27NO6/c1-3-4-5-6-7-12-25-18(21)10-11-19(22)26-14-16-8-9-17(20(23)24)15(2)13-16/h8-9,13H,3-7,10-12,14H2,1-2H3

InChI Key

SMLZKOYFKZZIFL-UHFFFAOYSA-N

Formula

C19H27NO6

SMILES

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

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°	-230.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-722.26	kJ/mol	Joback Calculated Property
ΔfusH°	55.16	kJ/mol	Joback Calculated Property
ΔvapH°	96.39	kJ/mol	Joback Calculated Property
log10WS	-5.81		Crippen Calculated Property
logPoct/wat	4.240		Crippen Calculated Property
McVol	287.110	ml/mol	McGowan Calculated Property
Pc	1438.07	kPa	Joback Calculated Property
Inp	[2747.00; 2747.00]
Inp	2747.00		NIST
Inp	2747.00		NIST
Tboil	975.18	K	Joback Calculated Property
Tc	1199.80	K	Joback Calculated Property
Tfus	643.28	K	Joback Calculated Property
Vc	1.121	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[927.88; 982.59]	J/mol×K	[975.18; 1199.80]
Cp,gas	927.88	J/mol×K	975.18	Joback Calculated Property
Cp,gas	940.23	J/mol×K	1012.62	Joback Calculated Property
Cp,gas	951.26	J/mol×K	1050.05	Joback Calculated Property
Cp,gas	960.98	J/mol×K	1087.49	Joback Calculated Property
Cp,gas	969.43	J/mol×K	1124.93	Joback Calculated Property
Cp,gas	976.62	J/mol×K	1162.36	Joback Calculated Property
Cp,gas	982.59	J/mol×K	1199.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, heptyl 3-methyl-4-nitrobenzyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.