Chemical Properties of Glutaric acid, 2,2-dichloroethyl non-5-yn-3-yl ester

InChI

InChI=1S/C16H24Cl2O4/c1-3-5-6-7-9-13(4-2)22-16(20)11-8-10-15(19)21-12-14(17)18/h13-14H,3-5,8-12H2,1-2H3

InChI Key

BYVUKBFXOUCSNP-UHFFFAOYSA-N

Formula

C16H24Cl2O4

SMILES

CCCC#CCC(CC)OC(=O)CCCC(=O)OCC(Cl)Cl

Molecular Weight¹

351.26

• 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°	-209.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-632.91	kJ/mol	Joback Calculated Property
ΔfusH°	47.24	kJ/mol	Joback Calculated Property
ΔvapH°	79.67	kJ/mol	Joback Calculated Property
log10WS	-5.06		Crippen Calculated Property
logPoct/wat	4.019		Crippen Calculated Property
McVol	267.060	ml/mol	McGowan Calculated Property
Pc	1525.88	kPa	Joback Calculated Property
Inp	[2195.00; 2195.00]
Inp	2195.00		NIST
Inp	2195.00		NIST
Tboil	801.04	K	Joback Calculated Property
Tc	1003.32	K	Joback Calculated Property
Tfus	550.34	K	Joback Calculated Property
Vc	1.028	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[745.40; 817.23]	J/mol×K	[801.04; 1003.32]
Cp,gas	745.40	J/mol×K	801.04	Joback Calculated Property
Cp,gas	759.74	J/mol×K	834.75	Joback Calculated Property
Cp,gas	773.12	J/mol×K	868.47	Joback Calculated Property
Cp,gas	785.55	J/mol×K	902.18	Joback Calculated Property
Cp,gas	797.03	J/mol×K	935.89	Joback Calculated Property
Cp,gas	807.59	J/mol×K	969.60	Joback Calculated Property
Cp,gas	817.23	J/mol×K	1003.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2-dichloroethyl non-5-yn-3-yl ester.

Sources

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

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