Chemical Properties of 1-Phenylethyl 2-chlorobenzoate

InChI

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

InChI Key

UKIZIOCBMHEFMW-UHFFFAOYSA-N

Formula

C15H13ClO2

SMILES

CC(OC(=O)c1ccccc1Cl)c1ccccc1

Molecular Weight¹

260.72

• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point 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	-243.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.34	kJ/mol	Joback Calculated Property
ΔvapH°	89.99	kJ/mol	Relay (1.0) Calculated Property
IE	8.81	eV	Relay (1.0) Calculated Property
log10WS	-4.36		Relay (1.0) Calculated Property
logPoct/wat	4.258		Crippen Calculated Property
McVol	194.370	ml/mol	McGowan Calculated Property
Inp	[1882.00; 1949.00]
Inp	1882.00		NIST
Inp	1897.00		NIST
Inp	1912.00		NIST
Inp	1924.00		NIST
Inp	1937.00		NIST
Inp	1949.00		NIST
Inp	1905.00		NIST
Inp	1917.00		NIST
Inp	1905.00		NIST
Inp	1882.00		NIST
Inp	1949.00		NIST
I	[2760.00; 2839.00]
I	2760.00		NIST
I	2760.00		NIST
I	2786.00		NIST
I	2814.00		NIST
I	2839.00		NIST
I	2807.00		NIST
I	2802.00		NIST
I	2807.00		NIST
Tboil	581.46	K	Relay (1.0) Calculated Property
Tfus	297.42	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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	[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 2-chlorobenzoate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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