Chemical Properties of Glutaric acid, but-3-yn-2-yl 4-chloro-2-methoxyphenyl ester

InChI

InChI=1S/C16H17ClO5/c1-4-11(2)21-15(18)6-5-7-16(19)22-13-9-8-12(17)10-14(13)20-3/h1,8-11H,5-7H2,2-3H3

InChI Key

AKEUFKOLKNHLQY-UHFFFAOYSA-N

Formula

C16H17ClO5

SMILES

C#CC(C)OC(=O)CCCC(=O)Oc1ccc(Cl)cc1OC

Molecular Weight¹

324.76

• 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°	-187.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-510.92	kJ/mol	Joback Calculated Property
ΔfusH°	40.87	kJ/mol	Joback Calculated Property
ΔvapH°	79.39	kJ/mol	Joback Calculated Property
log10WS	-4.29		Crippen Calculated Property
logPoct/wat	2.989		Crippen Calculated Property
McVol	236.930	ml/mol	McGowan Calculated Property
Pc	1959.60	kPa	Joback Calculated Property
Inp	[2255.00; 2255.00]
Inp	2255.00		NIST
Inp	2255.00		NIST
Tboil	804.23	K	Joback Calculated Property
Tc	1021.65	K	Joback Calculated Property
Tfus	549.98	K	Joback Calculated Property
Vc	0.894	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[648.33; 709.23]	J/mol×K	[804.23; 1021.65]
Cp,gas	648.33	J/mol×K	804.23	Joback Calculated Property
Cp,gas	661.07	J/mol×K	840.47	Joback Calculated Property
Cp,gas	672.78	J/mol×K	876.70	Joback Calculated Property
Cp,gas	683.45	J/mol×K	912.94	Joback Calculated Property
Cp,gas	693.08	J/mol×K	949.18	Joback Calculated Property
Cp,gas	701.68	J/mol×K	985.41	Joback Calculated Property
Cp,gas	709.23	J/mol×K	1021.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, but-3-yn-2-yl 4-chloro-2-methoxyphenyl ester.

Sources

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

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