Chemical Properties of Sebacic acid, ethyl 3-methoxy-4-nitrobenzyl ester

InChI

InChI=1S/C20H29NO7/c1-3-27-19(22)10-8-6-4-5-7-9-11-20(23)28-15-16-12-13-17(21(24)25)18(14-16)26-2/h12-14H,3-11,15H2,1-2H3

InChI Key

RUICCFHXEWCEGL-UHFFFAOYSA-N

Formula

C20H29NO7

SMILES

CCOC(=O)CCCCCCCCC(=O)OCc1ccc([N+](=O)[O-])c(OC)c1

Molecular Weight¹

395.45

• 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	1.1540		Relay (1.0) Calculated Property
ΔfG°	-326.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-950.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.94	kJ/mol	Joback Calculated Property
ΔvapH°	115.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.70	eV	Relay (1.0) Calculated Property
log10WS	-5.20		Relay (1.0) Calculated Property
logPoct/wat	4.330		Crippen Calculated Property
McVol	307.070	ml/mol	McGowan Calculated Property
Pc	1322.31	kPa	Joback Calculated Property
Inp	[3017.00; 3017.00]
Inp	3017.00		NIST
Inp	3017.00		NIST
Tboil	665.74	K	Relay (1.0) Calculated Property
Tc	905.55	K	Relay (1.0) Calculated Property
Tfus	322.75	K	Relay (1.0) Calculated Property
Vc	1.130	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1013.05; 1057.73]	J/mol×K	[1020.48; 1250.53]
Cp,gas	1013.05	J/mol×K	1020.48	Joback Calculated Property
Cp,gas	1024.45	J/mol×K	1058.82	Joback Calculated Property
Cp,gas	1034.24	J/mol×K	1097.16	Joback Calculated Property
Cp,gas	1042.45	J/mol×K	1135.50	Joback Calculated Property
Cp,gas	1049.10	J/mol×K	1173.85	Joback Calculated Property
Cp,gas	1054.19	J/mol×K	1212.19	Joback Calculated Property
Cp,gas	1057.73	J/mol×K	1250.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, ethyl 3-methoxy-4-nitrobenzyl ester.

Sources

• Cheméo Relay (1.0)
• 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.