Chemical Properties of Glutaric acid, cyclohexylmethyl 4-bromophenyl ester

InChI

InChI=1S/C18H23BrO4/c19-15-9-11-16(12-10-15)23-18(21)8-4-7-17(20)22-13-14-5-2-1-3-6-14/h9-12,14H,1-8,13H2

InChI Key

AYQGJYGOZMWWGO-UHFFFAOYSA-N

Formula

C18H23BrO4

SMILES

O=C(CCCC(=O)Oc1ccc(Br)cc1)OCC1CCCCC1

Molecular Weight¹

383.28

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	41.89	kJ/mol	Joback Calculated Property
logPoct/wat	4.648		Crippen Calculated Property
McVol	262.240	ml/mol	McGowan Calculated Property
Inp	[2723.00; 2723.00]
Inp	2723.00		NIST
Inp	2723.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[341.17; 836.76]	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			-3.96760e+01
Coefficient B			1.62610e+00
Coefficient C			-8.82760e-04
Coefficient D			1.33100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	341.17	J/mol×K	273.00	Calculated Property
Cp,gas	431.01	J/mol×K	353.78	Calculated Property
Cp,gas	511.18	J/mol×K	434.56	Calculated Property
Cp,gas	582.09	J/mol×K	515.33	Calculated Property
Cp,gas	644.17	J/mol×K	596.11	Calculated Property
Cp,gas	697.83	J/mol×K	676.89	Calculated Property
Cp,gas	743.50	J/mol×K	757.67	Calculated Property
Cp,gas	781.60	J/mol×K	838.44	Calculated Property
Cp,gas	812.55	J/mol×K	919.22	Calculated Property
Cp,gas	836.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007677; 0.0000734]	Pa×s	[483.40; 752.19]	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			-1.37422e+01
Coefficient B			3.17597e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			483.40
Temperature range, max.			752.19
η	0.0007677	Pa×s	483.40	Calculated Property
η	0.0005238	Pa×s	513.27	Calculated Property
η	0.0003727	Pa×s	543.13	Calculated Property
η	0.0002748	Pa×s	573.00	Calculated Property
η	0.0002088	Pa×s	602.86	Calculated Property
η	0.0001628	Pa×s	632.73	Calculated Property
η	0.0001299	Pa×s	662.60	Calculated Property
η	0.0001056	Pa×s	692.46	Calculated Property
η	0.0000874	Pa×s	722.33	Calculated Property
η	0.0000734	Pa×s	752.19	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl 4-bromophenyl 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

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