Chemical Properties of Glutaric acid, 3-chlorophenyl tetradecyl ester

InChI

InChI=1S/C25H39ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-29-24(27)18-15-19-25(28)30-23-17-14-16-22(26)21-23/h14,16-17,21H,2-13,15,18-20H2,1H3

InChI Key

CSSAUXTWTQZFRF-UHFFFAOYSA-N

Formula

C25H39ClO4

SMILES

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

Molecular Weight¹

439.04

• 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	-973.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.93	kJ/mol	Joback Calculated Property
ΔvapH°	126.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.86	eV	Relay (1.0) Calculated Property
log10WS	-7.54		Relay (1.0) Calculated Property
logPoct/wat	7.660		Crippen Calculated Property
McVol	366.470	ml/mol	McGowan Calculated Property
Pc	948.50	kPa	Joback Calculated Property
Inp	[3260.00; 3260.00]
Inp	3260.00		NIST
Inp	3260.00		NIST
Tboil	685.70	K	Relay (1.0) Calculated Property
Tfus	310.83	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	[1207.72; 1283.10]	J/mol×K	[993.07; 1216.15]
Cp,gas	1207.72	J/mol×K	993.07	Joback Calculated Property
Cp,gas	1223.86	J/mol×K	1030.25	Joback Calculated Property
Cp,gas	1238.49	J/mol×K	1067.43	Joback Calculated Property
Cp,gas	1251.68	J/mol×K	1104.61	Joback Calculated Property
Cp,gas	1263.48	J/mol×K	1141.79	Joback Calculated Property
Cp,gas	1273.94	J/mol×K	1178.97	Joback Calculated Property
Cp,gas	1283.10	J/mol×K	1216.15	Joback Calculated Property
η	[0.0000223; 0.0002716]	Pa×s	[584.69; 993.07]
η	0.0002716	Pa×s	584.69	Joback Calculated Property
η	0.0001441	Pa×s	652.75	Joback Calculated Property
η	0.0000862	Pa×s	720.82	Joback Calculated Property
η	0.0000563	Pa×s	788.88	Joback Calculated Property
η	0.0000394	Pa×s	856.94	Joback Calculated Property
η	0.0000290	Pa×s	925.01	Joback Calculated Property
η	0.0000223	Pa×s	993.07	Joback Calculated Property

Similar Compounds

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