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

InChI

InChI=1S/C21H33ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-17-24-21(23)18-25-20-15-13-19(22)14-16-20/h13-16H,2-12,17-18H2,1H3

InChI Key

UVORFUCIVQTNPB-UHFFFAOYSA-N

Formula

C21H33ClO3

SMILES

CCCCCCCCCCCCCOC(=O)COc1ccc(Cl)cc1

Molecular Weight¹

368.94

• 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	-717.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.97	kJ/mol	Joback Calculated Property
ΔvapH°	115.88	kJ/mol	Relay (1.0) Calculated Property
IE	8.49	eV	Relay (1.0) Calculated Property
log10WS	-7.00		Relay (1.0) Calculated Property
logPoct/wat	6.573		Crippen Calculated Property
McVol	308.540	ml/mol	McGowan Calculated Property
Pc	1168.02	kPa	Joback Calculated Property
Inp	[3220.00; 3220.00]
Inp	3220.00		NIST
Inp	3220.00		NIST
Tboil	656.42	K	Relay (1.0) Calculated Property
Tc	852.12	K	Relay (1.0) Calculated Property
Tfus	322.01	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	[946.61; 1031.75]	J/mol×K	[847.68; 1045.83]
Cp,gas	946.61	J/mol×K	847.68	Joback Calculated Property
Cp,gas	963.54	J/mol×K	880.70	Joback Calculated Property
Cp,gas	979.34	J/mol×K	913.73	Joback Calculated Property
Cp,gas	994.03	J/mol×K	946.75	Joback Calculated Property
Cp,gas	1007.65	J/mol×K	979.78	Joback Calculated Property
Cp,gas	1020.21	J/mol×K	1012.80	Joback Calculated Property
Cp,gas	1031.75	J/mol×K	1045.83	Joback Calculated Property
η	[0.0000428; 0.0005365]	Pa×s	[489.68; 847.68]
η	0.0005365	Pa×s	489.68	Joback Calculated Property
η	0.0002800	Pa×s	549.35	Joback Calculated Property
η	0.0001660	Pa×s	609.01	Joback Calculated Property
η	0.0001080	Pa×s	668.68	Joback Calculated Property
η	0.0000754	Pa×s	728.35	Joback Calculated Property
η	0.0000556	Pa×s	788.01	Joback Calculated Property
η	0.0000428	Pa×s	847.68	Joback Calculated Property

Similar Compounds

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