Chemical Properties of Glutaric acid, dodecyl 3-nitro-4-methoxybenzyl ester

InChI

InChI=1S/C25H39NO7/c1-3-4-5-6-7-8-9-10-11-12-18-32-24(27)14-13-15-25(28)33-20-21-16-17-23(31-2)22(19-21)26(29)30/h16-17,19H,3-15,18,20H2,1-2H3

InChI Key

UQHLCKZWCBYGTR-UHFFFAOYSA-N

Formula

C25H39NO7

SMILES

CCCCCCCCCCCCOC(=O)CCCC(=O)OCc1ccc(OC)c([N+](=O)[O-])c1

Molecular Weight¹

465.58

• 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	1.3379		Relay (1.0) Calculated Property
ΔfG°	-284.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-1049.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	71.89	kJ/mol	Joback Calculated Property
ΔvapH°	129.51	kJ/mol	Relay (1.0) Calculated Property
IE	8.75	eV	Relay (1.0) Calculated Property
log10WS	-6.58		Relay (1.0) Calculated Property
logPoct/wat	6.281		Crippen Calculated Property
McVol	377.520	ml/mol	McGowan Calculated Property
Pc	958.51	kPa	Joback Calculated Property
Inp	[3563.00; 3563.00]
Inp	3563.00		NIST
Inp	3563.00		NIST
Tboil	706.21	K	Relay (1.0) Calculated Property
Tc	938.46	K	Relay (1.0) Calculated Property
Tfus	323.45	K	Relay (1.0) Calculated Property
Vc	1.398	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1313.50; 1347.74]	J/mol×K	[1134.88; 1397.04]
Cp,gas	1313.50	J/mol×K	1134.88	Joback Calculated Property
Cp,gas	1324.68	J/mol×K	1178.57	Joback Calculated Property
Cp,gas	1333.60	J/mol×K	1222.27	Joback Calculated Property
Cp,gas	1340.31	J/mol×K	1265.96	Joback Calculated Property
Cp,gas	1344.88	J/mol×K	1309.66	Joback Calculated Property
Cp,gas	1347.33	J/mol×K	1353.35	Joback Calculated Property
Cp,gas	1347.74	J/mol×K	1397.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, dodecyl 3-nitro-4-methoxybenzyl ester.

Sources

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

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