Chemical Properties of Glutaric acid, 2,4,6-trichlorophenyl 3,7-dimethyloctyl ester

InChI

InChI=1S/C21H29Cl3O4/c1-14(2)6-4-7-15(3)10-11-27-19(25)8-5-9-20(26)28-21-17(23)12-16(22)13-18(21)24/h12-15H,4-11H2,1-3H3

InChI Key

SVAJLRFUOHVUBF-UHFFFAOYSA-N

Formula

C21H29Cl3O4

SMILES

CC(C)CCCC(C)CCOC(=O)CCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

451.81

• 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	1.0128		Relay (1.0) Calculated Property
ΔfG°	-299.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-942.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.14	kJ/mol	Joback Calculated Property
ΔvapH°	115.24	kJ/mol	Relay (1.0) Calculated Property
IE	8.61	eV	Relay (1.0) Calculated Property
log10WS	-7.14		Relay (1.0) Calculated Property
logPoct/wat	7.118		Crippen Calculated Property
McVol	334.590	ml/mol	McGowan Calculated Property
Pc	1148.32	kPa	Joback Calculated Property
Inp	[2917.00; 2917.00]
Inp	2917.00		NIST
Inp	2917.00		NIST
Tboil	649.07	K	Relay (1.0) Calculated Property
Tc	892.86	K	Relay (1.0) Calculated Property
Tfus	317.89	K	Relay (1.0) Calculated Property
Vc	1.206	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1010.97; 1066.54]	J/mol×K	[985.49; 1209.07]
Cp,gas	1010.97	J/mol×K	985.49	Joback Calculated Property
Cp,gas	1023.52	J/mol×K	1022.75	Joback Calculated Property
Cp,gas	1034.72	J/mol×K	1060.02	Joback Calculated Property
Cp,gas	1044.60	J/mol×K	1097.28	Joback Calculated Property
Cp,gas	1053.17	J/mol×K	1134.54	Joback Calculated Property
Cp,gas	1060.48	J/mol×K	1171.80	Joback Calculated Property
Cp,gas	1066.54	J/mol×K	1209.07	Joback Calculated Property
η	[0.0000252; 0.0002594]	Pa×s	[594.49; 985.49]
η	0.0002594	Pa×s	594.49	Joback Calculated Property
η	0.0001452	Pa×s	659.66	Joback Calculated Property
η	0.0000902	Pa×s	724.82	Joback Calculated Property
η	0.0000606	Pa×s	789.99	Joback Calculated Property
η	0.0000433	Pa×s	855.16	Joback Calculated Property
η	0.0000324	Pa×s	920.32	Joback Calculated Property
η	0.0000252	Pa×s	985.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,4,6-trichlorophenyl 3,7-dimethyloctyl ester.

Sources

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

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