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

• 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	1.2615		Relay (1.0) Calculated Property
ΔfG°	-178.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-910.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.50	kJ/mol	Joback Calculated Property
ΔvapH°	130.99	kJ/mol	Relay (1.0) Calculated Property
IE	9.17	eV	Relay (1.0) Calculated Property
log10WS	-6.23		Relay (1.0) 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	693.99	K	Relay (1.0) Calculated Property
Tc	922.52	K	Relay (1.0) Calculated Property
Tfus	303.73	K	Relay (1.0) Calculated Property
Vc	1.325	m3/kmol	Relay (1.0) 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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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