Chemical Properties of 4-Chlorobutyric acid, 2-biphenyl ester

InChI

InChI=1S/C16H15ClO2/c17-12-6-11-16(18)19-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2

InChI Key

LBYNLGXLCDTASA-UHFFFAOYSA-N

Formula

C16H15ClO2

SMILES

O=C(CCCCl)Oc1ccccc1-c1ccccc1

Molecular Weight¹

274.74

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-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
ΔfusH°	31.87	kJ/mol	Joback Calculated Property
logPoct/wat	4.278		Crippen Calculated Property
McVol	208.460	ml/mol	McGowan Calculated Property
Inp	[2091.00; 2091.00]
Inp	2091.00		NIST
Inp	2091.00		NIST
Tboil	630.14	K	Relay (1.0) Calculated Property
Tfus	303.12	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[543.75; 614.84]	J/mol×K	[737.54; 973.82]
Cp,gas	543.75	J/mol×K	737.54	Joback Calculated Property
Cp,gas	558.38	J/mol×K	776.92	Joback Calculated Property
Cp,gas	571.82	J/mol×K	816.30	Joback Calculated Property
Cp,gas	584.13	J/mol×K	855.68	Joback Calculated Property
Cp,gas	595.37	J/mol×K	895.06	Joback Calculated Property
Cp,gas	605.58	J/mol×K	934.44	Joback Calculated Property
Cp,gas	614.84	J/mol×K	973.82	Joback Calculated Property
η	[0.0001118; 0.0010146]	Pa×s	[437.52; 737.54]
η	0.0010146	Pa×s	437.52	Joback Calculated Property
η	0.0005818	Pa×s	487.52	Joback Calculated Property
η	0.0003700	Pa×s	537.53	Joback Calculated Property
η	0.0002541	Pa×s	587.53	Joback Calculated Property
η	0.0001852	Pa×s	637.53	Joback Calculated Property
η	0.0001413	Pa×s	687.54	Joback Calculated Property
η	0.0001118	Pa×s	737.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Chlorobutyric acid, 2-biphenyl ester.

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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