Chemical Properties of Acetic acid, (4-chlorophenoxy)-, hexadecyl ester

InChI

InChI=1S/C24H39ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27-24(26)21-28-23-18-16-22(25)17-19-23/h16-19H,2-15,20-21H2,1H3

InChI Key

JWNNWWGRPGWOPQ-UHFFFAOYSA-N

Formula

C24H39ClO3

SMILES

CCCCCCCCCCCCCCCCOC(=O)COc1ccc(Cl)cc1

Molecular Weight¹

411.03

• 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_c : Critical 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	-781.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.74	kJ/mol	Joback Calculated Property
ΔvapH°	128.42	kJ/mol	Relay (1.0) Calculated Property
IE	8.61	eV	Relay (1.0) Calculated Property
log10WS	-7.84		Relay (1.0) Calculated Property
logPoct/wat	7.743		Crippen Calculated Property
McVol	350.810	ml/mol	McGowan Calculated Property
Pc	968.07	kPa	Joback Calculated Property
Inp	[2252.00; 2252.00]
Inp	2252.00		NIST
Inp	2252.00		NIST
Tboil	676.24	K	Relay (1.0) Calculated Property
Tc	873.39	K	Relay (1.0) Calculated Property
Tfus	329.16	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[1129.40; 1216.82]	J/mol×K	[916.32; 1122.53]
Cp,gas	1129.40	J/mol×K	916.32	Joback Calculated Property
Cp,gas	1147.10	J/mol×K	950.69	Joback Calculated Property
Cp,gas	1163.50	J/mol×K	985.06	Joback Calculated Property
Cp,gas	1178.63	J/mol×K	1019.42	Joback Calculated Property
Cp,gas	1192.54	J/mol×K	1053.79	Joback Calculated Property
Cp,gas	1205.25	J/mol×K	1088.16	Joback Calculated Property
Cp,gas	1216.82	J/mol×K	1122.53	Joback Calculated Property
η	[0.0000276; 0.0003834]	Pa×s	[523.49; 916.32]
η	0.0003834	Pa×s	523.49	Joback Calculated Property
η	0.0001937	Pa×s	588.96	Joback Calculated Property
η	0.0001122	Pa×s	654.43	Joback Calculated Property
η	0.0000718	Pa×s	719.90	Joback Calculated Property
η	0.0000495	Pa×s	785.38	Joback Calculated Property
η	0.0000361	Pa×s	850.85	Joback Calculated Property
η	0.0000276	Pa×s	916.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, (4-chlorophenoxy)-, 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.