Chemical Properties of Succinic acid, cyclohexylmethyl 4-bromo-2-methoxyphenyl ester

InChI

InChI=1S/C18H23BrO5/c1-22-16-11-14(19)7-8-15(16)24-18(21)10-9-17(20)23-12-13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,12H2,1H3

InChI Key

KQEFSTWKYXEOPU-UHFFFAOYSA-N

Formula

C18H23BrO5

SMILES

COc1cc(Br)ccc1OC(=O)CCC(=O)OCC1CCCCC1

Molecular Weight¹

399.28

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	42.68	kJ/mol	Joback Calculated Property
logPoct/wat	4.267		Crippen Calculated Property
McVol	268.110	ml/mol	McGowan Calculated Property
Inp	[2804.00; 2804.00]
Inp	2804.00		NIST
Inp	2804.00		NIST
Tboil	686.42	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, 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	[359.12; 852.22]	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			1.23000e-01
Coefficient B			1.50342e+00
Coefficient C			-7.04720e-04
Coefficient D			5.34000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	359.12	J/mol×K	273.00	Calculated Property
Cp,gas	446.16	J/mol×K	353.78	Calculated Property
Cp,gas	524.75	J/mol×K	434.56	Calculated Property
Cp,gas	595.04	J/mol×K	515.33	Calculated Property
Cp,gas	657.22	J/mol×K	596.11	Calculated Property
Cp,gas	711.44	J/mol×K	676.89	Calculated Property
Cp,gas	757.89	J/mol×K	757.67	Calculated Property
Cp,gas	796.72	J/mol×K	838.44	Calculated Property
Cp,gas	828.11	J/mol×K	919.22	Calculated Property
Cp,gas	852.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004407; 0.0000565]	Pa×s	[518.15; 770.73]	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			-1.39933e+01
Coefficient B			3.24680e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			518.15
Temperature range, max.			770.73
η	0.0004407	Pa×s	518.15	Calculated Property
η	0.0003194	Pa×s	546.21	Calculated Property
η	0.0002389	Pa×s	574.28	Calculated Property
η	0.0001835	Pa×s	602.34	Calculated Property
η	0.0001444	Pa×s	630.41	Calculated Property
η	0.0001159	Pa×s	658.47	Calculated Property
η	0.0000948	Pa×s	686.54	Calculated Property
η	0.0000787	Pa×s	714.60	Calculated Property
η	0.0000663	Pa×s	742.67	Calculated Property
η	0.0000565	Pa×s	770.73	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl 4-bromo-2-methoxyphenyl 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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