Chemical Properties of Butyric acid, 2-phenyl-, 8-chlorooctyl ester

InChI

InChI=1S/C18H27ClO2/c1-2-17(16-12-8-7-9-13-16)18(20)21-15-11-6-4-3-5-10-14-19/h7-9,12-13,17H,2-6,10-11,14-15H2,1H3

InChI Key

IJRVMEJOHOAYMY-UHFFFAOYSA-N

Formula

C18H27ClO2

SMILES

CCC(C(=O)OCCCCCCCCCl)c1ccccc1

Molecular Weight¹

310.86

• 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).
• 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.
• 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°	41.46	kJ/mol	Joback Calculated Property
log10WS	-5.48		Relay (1.0) Calculated Property
logPoct/wat	5.303		Crippen Calculated Property
McVol	260.400	ml/mol	McGowan Calculated Property
Pc	1435.89	kPa	Joback Calculated Property
Inp	[2238.00; 2238.00]
Inp	2238.00		NIST
Inp	2238.00		NIST
Tboil	609.25	K	Relay (1.0) Calculated Property
Tfus	299.66	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[735.86; 823.34]	J/mol×K	[733.33; 929.93]
Cp,gas	735.86	J/mol×K	733.33	Joback Calculated Property
Cp,gas	753.01	J/mol×K	766.10	Joback Calculated Property
Cp,gas	769.08	J/mol×K	798.86	Joback Calculated Property
Cp,gas	784.11	J/mol×K	831.63	Joback Calculated Property
Cp,gas	798.14	J/mol×K	864.40	Joback Calculated Property
Cp,gas	811.20	J/mol×K	897.17	Joback Calculated Property
Cp,gas	823.34	J/mol×K	929.93	Joback Calculated Property
η	[0.0000700; 0.0021246]	Pa×s	[376.29; 733.33]
η	0.0021246	Pa×s	376.29	Joback Calculated Property
η	0.0008159	Pa×s	435.80	Joback Calculated Property
η	0.0003943	Pa×s	495.30	Joback Calculated Property
η	0.0002227	Pa×s	554.81	Joback Calculated Property
η	0.0001405	Pa×s	614.32	Joback Calculated Property
η	0.0000962	Pa×s	673.82	Joback Calculated Property
η	0.0000700	Pa×s	733.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butyric acid, 2-phenyl-, 8-chlorooctyl ester.

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.
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