Chemical Properties of Glutaric acid, 2,2-dichloroethyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C15H26Cl2O4/c1-11(8-15(2,3)4)9-20-13(18)6-5-7-14(19)21-10-12(16)17/h11-12H,5-10H2,1-4H3

InChI Key

KDNOGOZBFVCVAO-UHFFFAOYSA-N

Formula

C15H26Cl2O4

SMILES

CC(COC(=O)CCCC(=O)OCC(Cl)Cl)CC(C)(C)C

Molecular Weight¹

341.27

• 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	0.7870		Relay (1.0) Calculated Property
ΔfG°	-418.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-1056.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.11	kJ/mol	Joback Calculated Property
ΔvapH°	83.53	kJ/mol	Relay (1.0) Calculated Property
IE	9.74	eV	Relay (1.0) Calculated Property
log10WS	-4.61		Relay (1.0) Calculated Property
logPoct/wat	4.119		Crippen Calculated Property
McVol	261.570	ml/mol	McGowan Calculated Property
Pc	1473.62	kPa	Joback Calculated Property
Inp	[2033.00; 2033.00]
Inp	2033.00		NIST
Inp	2033.00		NIST
Tboil	600.96	K	Relay (1.0) Calculated Property
Tc	772.56	K	Relay (1.0) Calculated Property
Tfus	300.53	K	Relay (1.0) Calculated Property
Vc	0.938	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[740.15; 816.05]	J/mol×K	[765.93; 961.65]
Cp,gas	740.15	J/mol×K	765.93	Joback Calculated Property
Cp,gas	755.07	J/mol×K	798.55	Joback Calculated Property
Cp,gas	769.05	J/mol×K	831.17	Joback Calculated Property
Cp,gas	782.11	J/mol×K	863.79	Joback Calculated Property
Cp,gas	794.28	J/mol×K	896.41	Joback Calculated Property
Cp,gas	805.58	J/mol×K	929.03	Joback Calculated Property
Cp,gas	816.05	J/mol×K	961.65	Joback Calculated Property
η	[0.0000562; 0.0012353]	Pa×s	[435.39; 765.93]
η	0.0012353	Pa×s	435.39	Joback Calculated Property
η	0.0005526	Pa×s	490.48	Joback Calculated Property
η	0.0002908	Pa×s	545.57	Joback Calculated Property
η	0.0001722	Pa×s	600.66	Joback Calculated Property
η	0.0001113	Pa×s	655.75	Joback Calculated Property
η	0.0000770	Pa×s	710.84	Joback Calculated Property
η	0.0000562	Pa×s	765.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2-dichloroethyl 2,4,4-trimethylpentyl ester.

Sources

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

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