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

InChI

InChI=1S/C12H15ClO3/c1-9(2)7-16-12(14)8-15-11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3

InChI Key

KPZQJZLKVMNLLD-UHFFFAOYSA-N

Formula

C12H15ClO3

SMILES

CC(C)COC(=O)COc1ccc(Cl)cc1

Molecular Weight¹

242.70

• 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	-534.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.14	kJ/mol	Joback Calculated Property
ΔvapH°	78.71	kJ/mol	Relay (1.0) Calculated Property
IE	8.37	eV	Relay (1.0) Calculated Property
log10WS	-3.91		Relay (1.0) Calculated Property
logPoct/wat	2.918		Crippen Calculated Property
McVol	181.730	ml/mol	McGowan Calculated Property
Pc	2370.28	kPa	Joback Calculated Property
Inp	[2065.00; 2065.00]
Inp	2065.00		NIST
Inp	2065.00		NIST
Tboil	578.08	K	Relay (1.0) Calculated Property
Tc	763.32	K	Relay (1.0) Calculated Property
Tfus	310.99	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	[447.02; 519.05]	J/mol×K	[641.32; 854.00]
Cp,gas	447.02	J/mol×K	641.32	Joback Calculated Property
Cp,gas	461.09	J/mol×K	676.77	Joback Calculated Property
Cp,gas	474.32	J/mol×K	712.21	Joback Calculated Property
Cp,gas	486.73	J/mol×K	747.66	Joback Calculated Property
Cp,gas	498.32	J/mol×K	783.10	Joback Calculated Property
Cp,gas	509.09	J/mol×K	818.55	Joback Calculated Property
Cp,gas	519.05	J/mol×K	854.00	Joback Calculated Property
η	[0.0001271; 0.0013687]	Pa×s	[373.25; 641.32]
η	0.0013687	Pa×s	373.25	Joback Calculated Property
η	0.0007453	Pa×s	417.93	Joback Calculated Property
η	0.0004564	Pa×s	462.61	Joback Calculated Property
η	0.0003047	Pa×s	507.28	Joback Calculated Property
η	0.0002172	Pa×s	551.96	Joback Calculated Property
η	0.0001629	Pa×s	596.64	Joback Calculated Property
η	0.0001271	Pa×s	641.32	Joback Calculated Property

Similar Compounds

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