Chemical Properties of Glutaric acid, but-3-en-2-yl 3-chlorophenyl ester

InChI

InChI=1S/C15H17ClO4/c1-3-11(2)19-14(17)8-5-9-15(18)20-13-7-4-6-12(16)10-13/h3-4,6-7,10-11H,1,5,8-9H2,2H3

InChI Key

AKESMPCJYGAJAN-UHFFFAOYSA-N

Formula

C15H17ClO4

SMILES

C=CC(C)OC(=O)CCCC(=O)Oc1cccc(Cl)c1

Molecular Weight¹

296.75

• 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	0.7232		Relay (1.0) Calculated Property
ΔfG°	-216.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-681.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.23	kJ/mol	Joback Calculated Property
ΔvapH°	87.90	kJ/mol	Relay (1.0) Calculated Property
IE	8.74	eV	Relay (1.0) Calculated Property
log10WS	-3.70		Relay (1.0) Calculated Property
logPoct/wat	3.533		Crippen Calculated Property
McVol	221.270	ml/mol	McGowan Calculated Property
Pc	1998.33	kPa	Joback Calculated Property
Inp	[2025.00; 2025.00]
Inp	2025.00		NIST
Inp	2025.00		NIST
Tboil	608.22	K	Relay (1.0) Calculated Property
Tc	802.20	K	Relay (1.0) Calculated Property
Tfus	294.55	K	Relay (1.0) Calculated Property
Vc	0.787	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[595.45; 661.20]	J/mol×K	[760.51; 973.94]
Cp,gas	595.45	J/mol×K	760.51	Joback Calculated Property
Cp,gas	608.79	J/mol×K	796.08	Joback Calculated Property
Cp,gas	621.15	J/mol×K	831.65	Joback Calculated Property
Cp,gas	632.56	J/mol×K	867.23	Joback Calculated Property
Cp,gas	643.02	J/mol×K	902.80	Joback Calculated Property
Cp,gas	652.56	J/mol×K	938.37	Joback Calculated Property
Cp,gas	661.20	J/mol×K	973.94	Joback Calculated Property
η	[0.0000924; 0.0009033]	Pa×s	[455.23; 760.51]
η	0.0009033	Pa×s	455.23	Joback Calculated Property
η	0.0005103	Pa×s	506.11	Joback Calculated Property
η	0.0003200	Pa×s	556.99	Joback Calculated Property
η	0.0002170	Pa×s	607.87	Joback Calculated Property
η	0.0001562	Pa×s	658.75	Joback Calculated Property
η	0.0001179	Pa×s	709.63	Joback Calculated Property
η	0.0000924	Pa×s	760.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, but-3-en-2-yl 3-chlorophenyl ester.

Sources

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

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