Chemical Properties of Glutaric acid, 3-chlorophenyl 3-octyl ester

InChI

InChI=1S/C19H27ClO4/c1-3-5-6-10-16(4-2)23-18(21)12-8-13-19(22)24-17-11-7-9-15(20)14-17/h7,9,11,14,16H,3-6,8,10,12-13H2,1-2H3

InChI Key

ZFNASMSLERDYCB-UHFFFAOYSA-N

Formula

C19H27ClO4

SMILES

CCCCCC(CC)OC(=O)CCCC(=O)Oc1cccc(Cl)c1

Molecular Weight¹

354.87

• 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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	48.03	kJ/mol	Joback Calculated Property
IE	8.60	eV	Relay (1.0) Calculated Property
logPoct/wat	5.318		Crippen Calculated Property
McVol	281.930	ml/mol	McGowan Calculated Property
Inp	[2381.00; 2381.00]
Inp	2381.00		NIST
Inp	2381.00		NIST
Tboil	638.46	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[399.60; 903.02]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.80380e+01
Coefficient B			1.57354e+00
Coefficient C			-8.08360e-04
Coefficient D			1.09800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	399.60	J/mol×K	273.00	Calculated Property
Cp,gas	488.41	J/mol×K	353.78	Calculated Property
Cp,gas	568.19	J/mol×K	434.56	Calculated Property
Cp,gas	639.29	J/mol×K	515.33	Calculated Property
Cp,gas	702.05	J/mol×K	596.11	Calculated Property
Cp,gas	756.83	J/mol×K	676.89	Calculated Property
Cp,gas	803.97	J/mol×K	757.67	Calculated Property
Cp,gas	843.81	J/mol×K	838.44	Calculated Property
Cp,gas	876.71	J/mol×K	919.22	Calculated Property
Cp,gas	903.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009458; 0.0000673]	Pa×s	[442.41; 714.54]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.39032e+01
Coefficient B			3.07022e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			442.41
Temperature range, max.			714.54
η	0.0009458	Pa×s	442.41	Calculated Property
η	0.0006067	Pa×s	472.65	Calculated Property
η	0.0004106	Pa×s	502.88	Calculated Property
η	0.0002904	Pa×s	533.12	Calculated Property
η	0.0002132	Pa×s	563.35	Calculated Property
η	0.0001615	Pa×s	593.59	Calculated Property
η	0.0001257	Pa×s	623.83	Calculated Property
η	0.0001001	Pa×s	654.06	Calculated Property
η	0.0000814	Pa×s	684.30	Calculated Property
η	0.0000673	Pa×s	714.54	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-chlorophenyl 3-octyl 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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