Chemical Properties of Glutaric acid, dodec-2-en-1-yl 4-nitrophenyl ester

InChI

InChI=1S/C23H33NO6/c1-2-3-4-5-6-7-8-9-10-11-19-29-22(25)13-12-14-23(26)30-21-17-15-20(16-18-21)24(27)28/h10-11,15-18H,2-9,12-14,19H2,1H3/b11-10+

InChI Key

BCEXNCFZVUCOCR-ZHACJKMWSA-N

Formula

C23H33NO6

SMILES

CCCCCCCCCC=CCOC(=O)CCCC(=O)Oc1ccc([N+](=O)[O-])cc1

Molecular Weight¹

419.51

• 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°	-106.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-676.13	kJ/mol	Joback Calculated Property
ΔfusH°	66.11	kJ/mol	Joback Calculated Property
ΔvapH°	104.59	kJ/mol	Joback Calculated Property
log10WS	-7.43		Crippen Calculated Property
logPoct/wat	5.911		Crippen Calculated Property
McVol	339.170	ml/mol	McGowan Calculated Property
Pc	1145.99	kPa	Joback Calculated Property
Inp	[3223.00; 3223.00]
Inp	3223.00		NIST
Inp	3223.00		NIST
Tboil	1065.88	K	Joback Calculated Property
Tc	1304.94	K	Joback Calculated Property
Tfus	670.76	K	Joback Calculated Property
Vc	1.325	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1139.77; 1199.51]	J/mol×K	[1065.88; 1304.94]
Cp,gas	1139.77	J/mol×K	1065.88	Joback Calculated Property
Cp,gas	1152.82	J/mol×K	1105.72	Joback Calculated Property
Cp,gas	1164.53	J/mol×K	1145.57	Joback Calculated Property
Cp,gas	1174.98	J/mol×K	1185.41	Joback Calculated Property
Cp,gas	1184.24	J/mol×K	1225.25	Joback Calculated Property
Cp,gas	1192.39	J/mol×K	1265.10	Joback Calculated Property
Cp,gas	1199.51	J/mol×K	1304.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, dodec-2-en-1-yl 4-nitrophenyl ester.

Sources

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

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