Chemical Properties of Glutaric acid, 2,4,6-trichlorophenyl hept-4-yl ester

InChI

InChI=1S/C18H23Cl3O4/c1-3-6-13(7-4-2)24-16(22)8-5-9-17(23)25-18-14(20)10-12(19)11-15(18)21/h10-11,13H,3-9H2,1-2H3

InChI Key

ZJDMMLRUXDCWEZ-UHFFFAOYSA-N

Formula

C18H23Cl3O4

SMILES

CCCC(CCC)OC(=O)CCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

409.73

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.9369		Relay (1.0) Calculated Property
ΔfG°	-321.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-851.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.89	kJ/mol	Joback Calculated Property
ΔvapH°	106.86	kJ/mol	Relay (1.0) Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log10WS	-6.22		Relay (1.0) Calculated Property
logPoct/wat	6.234		Crippen Calculated Property
McVol	292.320	ml/mol	McGowan Calculated Property
Pc	1401.69	kPa	Joback Calculated Property
Inp	[2563.00; 2563.00]
Inp	2563.00		NIST
Inp	2563.00		NIST
Tboil	620.99	K	Relay (1.0) Calculated Property
Tc	868.66	K	Relay (1.0) Calculated Property
Tfus	296.74	K	Relay (1.0) Calculated Property
Vc	1.057	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[834.79; 890.30]	J/mol×K	[917.29; 1134.50]
Cp,gas	834.79	J/mol×K	917.29	Joback Calculated Property
Cp,gas	846.87	J/mol×K	953.49	Joback Calculated Property
Cp,gas	857.80	J/mol×K	989.69	Joback Calculated Property
Cp,gas	867.60	J/mol×K	1025.89	Joback Calculated Property
Cp,gas	876.27	J/mol×K	1062.09	Joback Calculated Property
Cp,gas	883.83	J/mol×K	1098.30	Joback Calculated Property
Cp,gas	890.30	J/mol×K	1134.50	Joback Calculated Property
η	[0.0000436; 0.0003394]	Pa×s	[575.68; 917.29]
η	0.0003394	Pa×s	575.68	Joback Calculated Property
η	0.0002067	Pa×s	632.62	Joback Calculated Property
η	0.0001366	Pa×s	689.55	Joback Calculated Property
η	0.0000962	Pa×s	746.49	Joback Calculated Property
η	0.0000711	Pa×s	803.42	Joback Calculated Property
η	0.0000548	Pa×s	860.36	Joback Calculated Property
η	0.0000436	Pa×s	917.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,4,6-trichlorophenyl hept-4-yl ester.

Sources

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

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