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

InChI

InChI=1S/C17H25ClO3/c1-2-3-4-5-6-7-8-13-20-17(19)14-21-16-11-9-15(18)10-12-16/h9-12H,2-8,13-14H2,1H3

InChI Key

HMSKSBRSCVSHCI-UHFFFAOYSA-N

Formula

C17H25ClO3

SMILES

CCCCCCCCCOC(=O)COc1ccc(Cl)cc1

Molecular Weight¹

312.83

• 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	-630.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.61	kJ/mol	Joback Calculated Property
ΔvapH°	99.26	kJ/mol	Relay (1.0) Calculated Property
IE	8.35	eV	Relay (1.0) Calculated Property
log10WS	-5.85		Relay (1.0) Calculated Property
logPoct/wat	5.013		Crippen Calculated Property
McVol	252.180	ml/mol	McGowan Calculated Property
Pc	1547.57	kPa	Joback Calculated Property
Inp	[2799.00; 2799.00]
Inp	2799.00		NIST
Inp	2799.00		NIST
Tboil	628.20	K	Relay (1.0) Calculated Property
Tc	819.97	K	Relay (1.0) Calculated Property
Tfus	308.78	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	[713.67; 794.85]	J/mol×K	[756.16; 953.73]
Cp,gas	713.67	J/mol×K	756.16	Joback Calculated Property
Cp,gas	729.58	J/mol×K	789.09	Joback Calculated Property
Cp,gas	744.52	J/mol×K	822.02	Joback Calculated Property
Cp,gas	758.50	J/mol×K	854.95	Joback Calculated Property
Cp,gas	771.54	J/mol×K	887.87	Joback Calculated Property
Cp,gas	783.65	J/mol×K	920.80	Joback Calculated Property
Cp,gas	794.85	J/mol×K	953.73	Joback Calculated Property
η	[0.0000743; 0.0007931]	Pa×s	[444.60; 756.16]
η	0.0007931	Pa×s	444.60	Joback Calculated Property
η	0.0004348	Pa×s	496.53	Joback Calculated Property
η	0.0002671	Pa×s	548.45	Joback Calculated Property
η	0.0001785	Pa×s	600.38	Joback Calculated Property
η	0.0001272	Pa×s	652.31	Joback Calculated Property
η	0.0000953	Pa×s	704.23	Joback Calculated Property
η	0.0000743	Pa×s	756.16	Joback Calculated Property

Similar Compounds

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