Chemical Properties of 1-Butoxypropan-2-yl 4-chlorobenzoate

InChI

InChI=1S/C14H19ClO3/c1-3-4-9-17-10-11(2)18-14(16)12-5-7-13(15)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3

InChI Key

UAKZLELTFPXFFI-UHFFFAOYSA-N

Formula

C14H19ClO3

SMILES

CCCCOCC(C)OC(=O)c1ccc(Cl)cc1

Molecular Weight¹

270.75

• 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	0.7063		Relay (1.0) Calculated Property
ΔfH°gas	-581.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.32	kJ/mol	Joback Calculated Property
ΔvapH°	89.02	kJ/mol	Relay (1.0) Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
log10WS	-4.19		Relay (1.0) Calculated Property
logPoct/wat	3.702		Crippen Calculated Property
McVol	209.910	ml/mol	McGowan Calculated Property
Pc	1982.35	kPa	Joback Calculated Property
Inp	[1827.00; 1827.00]
Inp	1827.00		NIST
Inp	1827.00		NIST
Tboil	591.83	K	Relay (1.0) Calculated Property
Tc	781.20	K	Relay (1.0) Calculated Property
Tfus	254.25	K	Relay (1.0) Calculated Property
Vc	0.766	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	[550.11; 627.28]	J/mol×K	[687.08; 893.55]
Cp,gas	550.11	J/mol×K	687.08	Joback Calculated Property
Cp,gas	565.22	J/mol×K	721.49	Joback Calculated Property
Cp,gas	579.41	J/mol×K	755.90	Joback Calculated Property
Cp,gas	592.71	J/mol×K	790.32	Joback Calculated Property
Cp,gas	605.11	J/mol×K	824.73	Joback Calculated Property
Cp,gas	616.63	J/mol×K	859.14	Joback Calculated Property
Cp,gas	627.28	J/mol×K	893.55	Joback Calculated Property
η	[0.0001005; 0.0011940]	Pa×s	[395.79; 687.08]
η	0.0011940	Pa×s	395.79	Joback Calculated Property
η	0.0006310	Pa×s	444.34	Joback Calculated Property
η	0.0003781	Pa×s	492.89	Joback Calculated Property
η	0.0002483	Pa×s	541.43	Joback Calculated Property
η	0.0001748	Pa×s	589.98	Joback Calculated Property
η	0.0001298	Pa×s	638.53	Joback Calculated Property
η	0.0001005	Pa×s	687.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Butoxypropan-2-yl 4-chlorobenzoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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