Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl 2,2-dichloroethyl ester

InChI

InChI=1S/C12H18Cl2O4/c1-9(2)6-7-17-11(15)4-3-5-12(16)18-8-10(13)14/h6,10H,3-5,7-8H2,1-2H3

InChI Key

FWPWPOKNRKZFII-UHFFFAOYSA-N

Formula

C12H18Cl2O4

SMILES

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

Molecular Weight¹

297.18

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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
ΔfG°	-372.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-709.94	kJ/mol	Joback Calculated Property
ΔfusH°	36.17	kJ/mol	Joback Calculated Property
ΔvapH°	69.04	kJ/mol	Joback Calculated Property
log10WS	-3.34		Crippen Calculated Property
logPoct/wat	3.013		Crippen Calculated Property
McVol	215.000	ml/mol	McGowan Calculated Property
Pc	1911.91	kPa	Joback Calculated Property
Inp	[1871.00; 1871.00]
Inp	1871.00		NIST
Inp	1871.00		NIST
Tboil	705.00	K	Joback Calculated Property
Tc	902.24	K	Joback Calculated Property
Tfus	395.12	K	Joback Calculated Property
Vc	0.829	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[549.90; 616.02]	J/mol×K	[705.00; 902.24]
Cp,gas	549.90	J/mol×K	705.00	Joback Calculated Property
Cp,gas	562.72	J/mol×K	737.87	Joback Calculated Property
Cp,gas	574.81	J/mol×K	770.75	Joback Calculated Property
Cp,gas	586.16	J/mol×K	803.62	Joback Calculated Property
Cp,gas	596.81	J/mol×K	836.49	Joback Calculated Property
Cp,gas	606.75	J/mol×K	869.37	Joback Calculated Property
Cp,gas	616.02	J/mol×K	902.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl 2,2-dichloroethyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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