Chemical Properties of Glutaric acid, 2,3-dichlorophenyl 3-methyl-5-methoxypentyl ester

InChI

InChI=1S/C18H24Cl2O5/c1-13(9-11-23-2)10-12-24-16(21)7-4-8-17(22)25-15-6-3-5-14(19)18(15)20/h3,5-6,13H,4,7-12H2,1-2H3

InChI Key

VNQMXRYYJPHAPM-UHFFFAOYSA-N

Formula

C18H24Cl2O5

SMILES

COCCC(C)CCOC(=O)CCCC(=O)Oc1cccc(Cl)c1Cl

Molecular Weight¹

391.29

• 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	0.9432		Relay (1.0) Calculated Property
ΔfG°	-405.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-970.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.27	kJ/mol	Joback Calculated Property
ΔvapH°	105.03	kJ/mol	Relay (1.0) Calculated Property
IE	8.57	eV	Relay (1.0) Calculated Property
log10WS	-4.73		Relay (1.0) Calculated Property
logPoct/wat	4.675		Crippen Calculated Property
McVol	285.950	ml/mol	McGowan Calculated Property
Pc	1439.16	kPa	Joback Calculated Property
Inp	[2708.00; 2708.00]
Inp	2708.00		NIST
Inp	2708.00		NIST
Tboil	654.39	K	Relay (1.0) Calculated Property
Tc	877.66	K	Relay (1.0) Calculated Property
Tfus	297.79	K	Relay (1.0) Calculated Property
Vc	1.027	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[840.22; 898.74]	J/mol×K	[897.30; 1109.72]
Cp,gas	840.22	J/mol×K	897.30	Joback Calculated Property
Cp,gas	853.02	J/mol×K	932.70	Joback Calculated Property
Cp,gas	864.59	J/mol×K	968.11	Joback Calculated Property
Cp,gas	874.95	J/mol×K	1003.51	Joback Calculated Property
Cp,gas	884.09	J/mol×K	1038.92	Joback Calculated Property
Cp,gas	892.02	J/mol×K	1074.32	Joback Calculated Property
Cp,gas	898.74	J/mol×K	1109.72	Joback Calculated Property
η	[0.0000374; 0.0003301]	Pa×s	[555.47; 897.30]
η	0.0003301	Pa×s	555.47	Joback Calculated Property
η	0.0001940	Pa×s	612.44	Joback Calculated Property
η	0.0001248	Pa×s	669.41	Joback Calculated Property
η	0.0000860	Pa×s	726.38	Joback Calculated Property
η	0.0000626	Pa×s	783.36	Joback Calculated Property
η	0.0000475	Pa×s	840.33	Joback Calculated Property
η	0.0000374	Pa×s	897.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,3-dichlorophenyl 3-methyl-5-methoxypentyl ester.

Sources

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

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