Chemical Properties of 1-Phenylethyl 4-chlorobenzoate

InChI

InChI=1S/C15H13ClO2/c1-11(12-5-3-2-4-6-12)18-15(17)13-7-9-14(16)10-8-13/h2-11H,1H3

InChI Key

ODECTUPTPGBVNU-UHFFFAOYSA-N

Formula

C15H13ClO2

SMILES

CC(OC(=O)c1ccc(Cl)cc1)c1ccccc1

Molecular Weight¹

260.72

• 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.
• I : 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	0.5666		Relay (1.0) Calculated Property
ΔfH°gas	-243.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.34	kJ/mol	Joback Calculated Property
ΔvapH°	93.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.93	eV	Relay (1.0) Calculated Property
log10WS	-4.47		Relay (1.0) Calculated Property
logPoct/wat	4.258		Crippen Calculated Property
McVol	194.370	ml/mol	McGowan Calculated Property
Pc	2414.74	kPa	Joback Calculated Property
Inp	[1881.00; 1952.00]
Inp	1881.00		NIST
Inp	1895.00		NIST
Inp	1911.00		NIST
Inp	1925.00		NIST
Inp	1938.00		NIST
Inp	1952.00		NIST
Inp	1905.00		NIST
Inp	1916.00		NIST
Inp	1905.00		NIST
Inp	1881.00		NIST
Inp	1952.00		NIST
I	[2699.00; 2773.00]
I	2699.00		NIST
I	2723.00		NIST
I	2749.00		NIST
I	2773.00		NIST
I	2741.00		NIST
I	2723.00		NIST
I	2741.00		NIST
I	2699.00		NIST
Tboil	591.75	K	Relay (1.0) Calculated Property
Tc	852.94	K	Relay (1.0) Calculated Property
Tfus	312.02	K	Relay (1.0) Calculated Property
Vc	0.698	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	[488.12; 558.88]	J/mol×K	[696.35; 940.70]
Cp,gas	488.12	J/mol×K	696.35	Joback Calculated Property
Cp,gas	503.00	J/mol×K	737.08	Joback Calculated Property
Cp,gas	516.57	J/mol×K	777.80	Joback Calculated Property
Cp,gas	528.88	J/mol×K	818.53	Joback Calculated Property
Cp,gas	540.00	J/mol×K	859.25	Joback Calculated Property
Cp,gas	549.98	J/mol×K	899.98	Joback Calculated Property
Cp,gas	558.88	J/mol×K	940.70	Joback Calculated Property
η	[0.0001035; 0.0016537]	Pa×s	[381.42; 696.35]
η	0.0016537	Pa×s	381.42	Joback Calculated Property
η	0.0007880	Pa×s	433.91	Joback Calculated Property
η	0.0004407	Pa×s	486.40	Joback Calculated Property
η	0.0002759	Pa×s	538.88	Joback Calculated Property
η	0.0001878	Pa×s	591.37	Joback Calculated Property
η	0.0001361	Pa×s	643.86	Joback Calculated Property
η	0.0001035	Pa×s	696.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Phenylethyl 4-chlorobenzoate.

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.
These property values are available through the Cheméo API. A free account gives you an access key.