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

InChI

InChI=1S/C13H17ClO3/c1-2-3-4-9-16-13(15)10-17-12-7-5-11(14)6-8-12/h5-8H,2-4,9-10H2,1H3

InChI Key

JTQBAUWCCUBOAQ-UHFFFAOYSA-N

Formula

C13H17ClO3

SMILES

CCCCCOC(=O)COc1ccc(Cl)cc1

Molecular Weight¹

256.73

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7175		Relay (1.0) Calculated Property
ΔfH°gas	-543.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.25	kJ/mol	Joback Calculated Property
ΔvapH°	83.84	kJ/mol	Relay (1.0) Calculated Property
IE	8.28	eV	Relay (1.0) Calculated Property
log10WS	-4.40		Relay (1.0) Calculated Property
logPoct/wat	3.452		Crippen Calculated Property
McVol	195.820	ml/mol	McGowan Calculated Property
Pc	2147.32	kPa	Joback Calculated Property
Inp	[2273.00; 2273.00]
Inp	2273.00		NIST
Inp	2273.00		NIST
Tboil	592.27	K	Relay (1.0) Calculated Property
Tc	780.37	K	Relay (1.0) Calculated Property
Tfus	293.43	K	Relay (1.0) Calculated Property
Vc	0.721	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[497.37; 571.04]	J/mol×K	[664.64; 870.26]
Cp,gas	497.37	J/mol×K	664.64	Joback Calculated Property
Cp,gas	511.71	J/mol×K	698.91	Joback Calculated Property
Cp,gas	525.21	J/mol×K	733.18	Joback Calculated Property
Cp,gas	537.89	J/mol×K	767.45	Joback Calculated Property
Cp,gas	549.74	J/mol×K	801.72	Joback Calculated Property
Cp,gas	560.79	J/mol×K	835.99	Joback Calculated Property
Cp,gas	571.04	J/mol×K	870.26	Joback Calculated Property
η	[0.0001221; 0.0010749]	Pa×s	[399.52; 664.64]
η	0.0010749	Pa×s	399.52	Joback Calculated Property
η	0.0006245	Pa×s	443.71	Joback Calculated Property
η	0.0004004	Pa×s	487.89	Joback Calculated Property
η	0.0002763	Pa×s	532.08	Joback Calculated Property
η	0.0002019	Pa×s	576.27	Joback Calculated Property
η	0.0001542	Pa×s	620.45	Joback Calculated Property
η	0.0001221	Pa×s	664.64	Joback Calculated Property

Similar Compounds

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