Chemical Properties of Glutaric acid, 3-chlorophenyl hexadecyl ester

InChI

InChI=1S/C27H43ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-31-26(29)20-17-21-27(30)32-25-19-16-18-24(28)23-25/h16,18-19,23H,2-15,17,20-22H2,1H3

InChI Key

QUOZBOQLNNNETK-UHFFFAOYSA-N

Formula

C27H43ClO4

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCC(=O)Oc1cccc(Cl)c1

Molecular Weight¹

467.09

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

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1015.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.11	kJ/mol	Joback Calculated Property
ΔvapH°	133.97	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-8.09		Relay (1.0) Calculated Property
logPoct/wat	8.440		Crippen Calculated Property
McVol	394.650	ml/mol	McGowan Calculated Property
Pc	845.54	kPa	Joback Calculated Property
Inp	[3471.00; 3471.00]
Inp	3471.00		NIST
Inp	3471.00		NIST
Tboil	698.84	K	Relay (1.0) Calculated Property
Tfus	315.62	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[1332.19; 1408.26]	J/mol×K	[1038.83; 1276.26]
Cp,gas	1332.19	J/mol×K	1038.83	Joback Calculated Property
Cp,gas	1348.93	J/mol×K	1078.40	Joback Calculated Property
Cp,gas	1363.95	J/mol×K	1117.97	Joback Calculated Property
Cp,gas	1377.32	J/mol×K	1157.54	Joback Calculated Property
Cp,gas	1389.11	J/mol×K	1197.12	Joback Calculated Property
Cp,gas	1399.40	J/mol×K	1236.69	Joback Calculated Property
Cp,gas	1408.26	J/mol×K	1276.26	Joback Calculated Property
η	[0.0000163; 0.0002112]	Pa×s	[607.23; 1038.83]
η	0.0002112	Pa×s	607.23	Joback Calculated Property
η	0.0001099	Pa×s	679.16	Joback Calculated Property
η	0.0000649	Pa×s	751.10	Joback Calculated Property
η	0.0000420	Pa×s	823.03	Joback Calculated Property
η	0.0000291	Pa×s	894.96	Joback Calculated Property
η	0.0000213	Pa×s	966.90	Joback Calculated Property
η	0.0000163	Pa×s	1038.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-chlorophenyl hexadecyl 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.