Chemical Properties of Glutaric acid, tridec-2-yn-1-yl 2,3,5-trichlorophenyl ester

InChI

InChI=1S/C24H31Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-30-22(28)14-13-15-23(29)31-21-18-19(25)17-20(26)24(21)27/h17-18H,2-10,13-16H2,1H3

InChI Key

IUPSJVYNYQRAJK-UHFFFAOYSA-N

Formula

C24H31Cl3O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)Oc1cc(Cl)cc(Cl)c1Cl

Molecular Weight¹

489.86

• 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°	-66.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-601.09	kJ/mol	Joback Calculated Property
ΔfusH°	72.08	kJ/mol	Joback Calculated Property
ΔvapH°	106.90	kJ/mol	Joback Calculated Property
log10WS	-9.20		Crippen Calculated Property
logPoct/wat	7.800		Crippen Calculated Property
McVol	368.260	ml/mol	McGowan Calculated Property
Pc	1043.95	kPa	Joback Calculated Property
Inp	[3378.00; 3378.00]
Inp	3378.00		NIST
Inp	3378.00		NIST
Tboil	1064.01	K	Joback Calculated Property
Tc	1302.67	K	Joback Calculated Property
Tfus	764.40	K	Joback Calculated Property
Vc	1.429	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1130.98; 1180.28]	J/mol×K	[1064.01; 1302.67]
Cp,gas	1130.98	J/mol×K	1064.01	Joback Calculated Property
Cp,gas	1142.85	J/mol×K	1103.79	Joback Calculated Property
Cp,gas	1153.21	J/mol×K	1143.56	Joback Calculated Property
Cp,gas	1162.10	J/mol×K	1183.34	Joback Calculated Property
Cp,gas	1169.54	J/mol×K	1223.12	Joback Calculated Property
Cp,gas	1175.59	J/mol×K	1262.90	Joback Calculated Property
Cp,gas	1180.28	J/mol×K	1302.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 2,3,5-trichlorophenyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.