Chemical Properties of Glutaric acid, 2,2-dichloroethyl 2-methylpent-3-yl ester

InChI

InChI=1S/C13H22Cl2O4/c1-4-10(9(2)3)19-13(17)7-5-6-12(16)18-8-11(14)15/h9-11H,4-8H2,1-3H3

InChI Key

QBQMHLRJWHGJRL-UHFFFAOYSA-N

Formula

C13H22Cl2O4

SMILES

CCC(OC(=O)CCCC(=O)OCC(Cl)Cl)C(C)C

Molecular Weight¹

313.22

• 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	0.7506		Relay (1.0) Calculated Property
ΔfG°	-440.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-995.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.82	kJ/mol	Joback Calculated Property
ΔvapH°	81.27	kJ/mol	Relay (1.0) Calculated Property
IE	9.94	eV	Relay (1.0) Calculated Property
log10WS	-3.49		Relay (1.0) Calculated Property
logPoct/wat	3.481		Crippen Calculated Property
McVol	233.390	ml/mol	McGowan Calculated Property
Pc	1701.90	kPa	Joback Calculated Property
Inp	[1864.00; 1864.00]
Inp	1864.00		NIST
Inp	1864.00		NIST
Tboil	580.77	K	Relay (1.0) Calculated Property
Tc	755.51	K	Relay (1.0) Calculated Property
Tfus	276.13	K	Relay (1.0) Calculated Property
Vc	0.833	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[628.19; 700.70]	J/mol×K	[722.96; 915.97]
Cp,gas	628.19	J/mol×K	722.96	Joback Calculated Property
Cp,gas	642.33	J/mol×K	755.13	Joback Calculated Property
Cp,gas	655.64	J/mol×K	787.30	Joback Calculated Property
Cp,gas	668.12	J/mol×K	819.47	Joback Calculated Property
Cp,gas	679.79	J/mol×K	851.63	Joback Calculated Property
Cp,gas	690.64	J/mol×K	883.80	Joback Calculated Property
Cp,gas	700.70	J/mol×K	915.97	Joback Calculated Property
η	[0.0000849; 0.0019317]	Pa×s	[395.43; 722.96]
η	0.0019317	Pa×s	395.43	Joback Calculated Property
η	0.0008368	Pa×s	450.02	Joback Calculated Property
η	0.0004344	Pa×s	504.61	Joback Calculated Property
η	0.0002563	Pa×s	559.20	Joback Calculated Property
η	0.0001661	Pa×s	613.78	Joback Calculated Property
η	0.0001156	Pa×s	668.37	Joback Calculated Property
η	0.0000849	Pa×s	722.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2-dichloroethyl 2-methylpent-3-yl ester.

Sources

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

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