Chemical Properties of Glutaric acid, hex-4-yn-3-yl 2,3-dichlorophenyl ester

InChI

InChI=1S/C17H18Cl2O4/c1-3-7-12(4-2)22-15(20)10-6-11-16(21)23-14-9-5-8-13(18)17(14)19/h5,8-9,12H,4,6,10-11H2,1-2H3

InChI Key

MUKNDNLHWYJAOP-UHFFFAOYSA-N

Formula

C17H18Cl2O4

SMILES

CC#CC(CC)OC(=O)CCCC(=O)Oc1cccc(Cl)c1Cl

Molecular Weight¹

357.23

• 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°	-105.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-434.68	kJ/mol	Joback Calculated Property
ΔfusH°	46.62	kJ/mol	Joback Calculated Property
ΔvapH°	85.88	kJ/mol	Joback Calculated Property
log10WS	-5.69		Crippen Calculated Property
logPoct/wat	4.414		Crippen Calculated Property
McVol	257.390	ml/mol	McGowan Calculated Property
Pc	1790.91	kPa	Joback Calculated Property
Inp	[2477.00; 2477.00]
Inp	2477.00		NIST
Inp	2477.00		NIST
Tboil	861.00	K	Joback Calculated Property
Tc	1088.30	K	Joback Calculated Property
Tfus	628.07	K	Joback Calculated Property
Vc	0.982	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[702.74; 760.45]	J/mol×K	[861.00; 1088.30]
Cp,gas	702.74	J/mol×K	861.00	Joback Calculated Property
Cp,gas	715.15	J/mol×K	898.88	Joback Calculated Property
Cp,gas	726.43	J/mol×K	936.77	Joback Calculated Property
Cp,gas	736.59	J/mol×K	974.65	Joback Calculated Property
Cp,gas	745.64	J/mol×K	1012.53	Joback Calculated Property
Cp,gas	753.58	J/mol×K	1050.42	Joback Calculated Property
Cp,gas	760.45	J/mol×K	1088.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 2,3-dichlorophenyl ester.

Sources

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

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