Chemical Properties of 5-Chloropentyl benzoate (CAS 55092-47-2)

InChI

InChI=1S/C12H15ClO2/c13-9-5-2-6-10-15-12(14)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2

InChI Key

XIOZPPYPTAEPGJ-UHFFFAOYSA-N

Formula

C12H15ClO2

SMILES

O=C(OCCCCCCl)c1ccccc1

Molecular Weight¹

226.70

CAS

55092-47-2

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[232.53; 536.27]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.62500e+00
Coefficient B			1.01690e+00
Coefficient C			-5.86000e-04
Coefficient D			1.09000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	232.53	J/mol×K	273.00	Calculated Property
Cp,gas	287.61	J/mol×K	353.78	Calculated Property
Cp,gas	336.56	J/mol×K	434.56	Calculated Property
Cp,gas	379.71	J/mol×K	515.33	Calculated Property
Cp,gas	417.42	J/mol×K	596.11	Calculated Property
Cp,gas	450.02	J/mol×K	676.89	Calculated Property
Cp,gas	477.86	J/mol×K	757.67	Calculated Property
Cp,gas	501.28	J/mol×K	838.44	Calculated Property
Cp,gas	520.64	J/mol×K	919.22	Calculated Property
Cp,gas	536.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028380; 0.0001961]	Pa×s	[323.67; 562.97]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.21514e+01
Coefficient B			2.03482e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			323.67
Temperature range, max.			562.97
η	0.0028380	Pa×s	323.67	Calculated Property
η	0.0017610	Pa×s	350.26	Calculated Property
η	0.0011688	Pa×s	376.85	Calculated Property
η	0.0008188	Pa×s	403.44	Calculated Property
η	0.0005994	Pa×s	430.03	Calculated Property
η	0.0004551	Pa×s	456.62	Calculated Property
η	0.0003561	Pa×s	483.21	Calculated Property
η	0.0002859	Pa×s	509.79	Calculated Property
η	0.0002346	Pa×s	536.38	Calculated Property
η	0.0001961	Pa×s	562.97	Calculated Property

Similar Compounds

Find more compounds similar to 5-Chloropentyl benzoate.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.