Chemical Properties of Glutaric acid, 2-methylhex-3-yl 2-nitro-3-chlorobenzyl ester

InChI

InChI=1S/C19H26ClNO6/c1-4-7-16(13(2)3)27-18(23)11-6-10-17(22)26-12-14-8-5-9-15(20)19(14)21(24)25/h5,8-9,13,16H,4,6-7,10-12H2,1-3H3

InChI Key

YQDWTPNFROSEML-UHFFFAOYSA-N

Formula

C19H26ClNO6

SMILES

CCCC(OC(=O)CCCC(=O)OCc1cccc(Cl)c1[N+](=O)[O-])C(C)C

Molecular Weight¹

399.87

• 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°	-246.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-748.56	kJ/mol	Joback Calculated Property
ΔfusH°	52.31	kJ/mol	Joback Calculated Property
ΔvapH°	100.00	kJ/mol	Joback Calculated Property
log10WS	-6.31		Crippen Calculated Property
logPoct/wat	4.830		Crippen Calculated Property
McVol	299.350	ml/mol	McGowan Calculated Property
Pc	1415.44	kPa	Joback Calculated Property
Inp	[2722.00; 2722.00]
Inp	2722.00		NIST
Inp	2722.00		NIST
Tboil	1011.73	K	Joback Calculated Property
Tc	1244.63	K	Joback Calculated Property
Tfus	643.20	K	Joback Calculated Property
Vc	1.159	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[949.17; 994.76]	J/mol×K	[1011.73; 1244.63]
Cp,gas	949.17	J/mol×K	1011.73	Joback Calculated Property
Cp,gas	960.18	J/mol×K	1050.55	Joback Calculated Property
Cp,gas	969.79	J/mol×K	1089.36	Joback Calculated Property
Cp,gas	978.01	J/mol×K	1128.18	Joback Calculated Property
Cp,gas	984.90	J/mol×K	1167.00	Joback Calculated Property
Cp,gas	990.47	J/mol×K	1205.81	Joback Calculated Property
Cp,gas	994.76	J/mol×K	1244.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-methylhex-3-yl 2-nitro-3-chlorobenzyl ester.

Sources

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

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