Chemical Properties of Sebacic acid, hexyl 2-(3-nitrophenyl)ethyl ester

InChI

InChI=1S/C24H37NO6/c1-2-3-4-11-18-30-23(26)15-9-7-5-6-8-10-16-24(27)31-19-17-21-13-12-14-22(20-21)25(28)29/h12-14,20H,2-11,15-19H2,1H3

InChI Key

AUUZTODYSIDJTF-UHFFFAOYSA-N

Formula

C24H37NO6

SMILES

CCCCCCOC(=O)CCCCCCCCC(=O)OCCc1cccc([N+](=O)[O-])c1

Molecular Weight¹

435.55

• 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°	-178.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-813.99	kJ/mol	Joback Calculated Property
ΔfusH°	68.50	kJ/mol	Joback Calculated Property
ΔvapH°	106.86	kJ/mol	Joback Calculated Property
log10WS	-7.35		Crippen Calculated Property
logPoct/wat	5.925		Crippen Calculated Property
McVol	357.560	ml/mol	McGowan Calculated Property
Pc	1039.24	kPa	Joback Calculated Property
Inp	[3209.00; 3209.00]
Inp	3209.00		NIST
Inp	3209.00		NIST
Tboil	1084.60	K	Joback Calculated Property
Tc	1329.30	K	Joback Calculated Property
Tfus	687.11	K	Joback Calculated Property
Vc	1.401	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1229.98; 1284.92]	J/mol×K	[1084.60; 1329.30]
Cp,gas	1229.98	J/mol×K	1084.60	Joback Calculated Property
Cp,gas	1243.08	J/mol×K	1125.38	Joback Calculated Property
Cp,gas	1254.51	J/mol×K	1166.17	Joback Calculated Property
Cp,gas	1264.34	J/mol×K	1206.95	Joback Calculated Property
Cp,gas	1272.64	J/mol×K	1247.73	Joback Calculated Property
Cp,gas	1279.48	J/mol×K	1288.52	Joback Calculated Property
Cp,gas	1284.92	J/mol×K	1329.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, hexyl 2-(3-nitrophenyl)ethyl 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.