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°	33.45	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	298.95	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	[539.79; 611.57]	J/mol×K	[719.67; 954.40]
Cp,gas	539.79	J/mol×K	719.67	Joback Calculated Property
Cp,gas	554.70	J/mol×K	758.79	Joback Calculated Property
Cp,gas	568.36	J/mol×K	797.91	Joback Calculated Property
Cp,gas	580.82	J/mol×K	837.03	Joback Calculated Property
Cp,gas	592.13	J/mol×K	876.16	Joback Calculated Property
Cp,gas	602.37	J/mol×K	915.28	Joback Calculated Property
Cp,gas	611.57	J/mol×K	954.40	Joback Calculated Property
η	[0.0000991; 0.0012634]	Pa×s	[407.69; 719.67]
η	0.0012634	Pa×s	407.69	Joback Calculated Property
η	0.0006503	Pa×s	459.69	Joback Calculated Property
η	0.0003831	Pa×s	511.68	Joback Calculated Property
η	0.0002488	Pa×s	563.68	Joback Calculated Property
η	0.0001738	Pa×s	615.68	Joback Calculated Property
η	0.0001284	Pa×s	667.67	Joback Calculated Property
η	0.0000991	Pa×s	719.67	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.
These property values are available through the Cheméo API. A free account gives you an access key.