Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl pentadecyl ester

InChI

InChI=1S/C26H40ClFO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-31-24(29)19-16-20-25(30)32-26-22(27)17-15-18-23(26)28/h15,17-18H,2-14,16,19-21H2,1H3

InChI Key

GNOJNTRUXSJBNM-UHFFFAOYSA-N

Formula

C26H40ClFO4

SMILES

CCCCCCCCCCCCCCCOC(=O)CCCC(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

471.05

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1140.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.21	kJ/mol	Joback Calculated Property
ΔvapH°	129.26	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.83		Relay (1.0) Calculated Property
logPoct/wat	8.189		Crippen Calculated Property
McVol	382.330	ml/mol	McGowan Calculated Property
Pc	863.53	kPa	Joback Calculated Property
Inp	[3248.00; 3248.00]
Inp	3248.00		NIST
Inp	3248.00		NIST
Tboil	668.79	K	Relay (1.0) Calculated Property
Tfus	328.75	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1275.61; 1349.27]	J/mol×K	[1020.20; 1253.10]
Cp,gas	1275.61	J/mol×K	1020.20	Joback Calculated Property
Cp,gas	1291.87	J/mol×K	1059.02	Joback Calculated Property
Cp,gas	1306.47	J/mol×K	1097.83	Joback Calculated Property
Cp,gas	1319.45	J/mol×K	1136.65	Joback Calculated Property
Cp,gas	1330.87	J/mol×K	1175.46	Joback Calculated Property
Cp,gas	1340.79	J/mol×K	1214.28	Joback Calculated Property
Cp,gas	1349.27	J/mol×K	1253.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl pentadecyl ester.

Sources

• Cheméo Relay (1.0)
• 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.
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