Chemical Properties of Succinic acid, 3-bromobenzyl 2-methylhex-3-yl ester

InChI

InChI=1S/C18H25BrO4/c1-4-6-16(13(2)3)23-18(21)10-9-17(20)22-12-14-7-5-8-15(19)11-14/h5,7-8,11,13,16H,4,6,9-10,12H2,1-3H3

InChI Key

RKDIZCAFVAZXKK-UHFFFAOYSA-N

Formula

C18H25BrO4

SMILES

CCCC(OC(=O)CCC(=O)OCc1cccc(Br)c1)C(C)C

Molecular Weight¹

385.29

• 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°	43.00	kJ/mol	Joback Calculated Property
logPoct/wat	4.640		Crippen Calculated Property
McVol	273.100	ml/mol	McGowan Calculated Property
Inp	[2383.00; 2383.00]
Inp	2383.00		NIST
Inp	2383.00		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	[378.66; 852.76]	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			2.25650e+01
Coefficient B			1.51586e+00
Coefficient C			-8.08160e-04
Coefficient D			1.22500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	378.66	J/mol×K	273.00	Calculated Property
Cp,gas	463.12	J/mol×K	353.78	Calculated Property
Cp,gas	538.73	J/mol×K	434.56	Calculated Property
Cp,gas	605.88	J/mol×K	515.33	Calculated Property
Cp,gas	664.96	J/mol×K	596.11	Calculated Property
Cp,gas	716.34	J/mol×K	676.89	Calculated Property
Cp,gas	760.43	J/mol×K	757.67	Calculated Property
Cp,gas	797.61	J/mol×K	838.44	Calculated Property
Cp,gas	828.25	J/mol×K	919.22	Calculated Property
Cp,gas	852.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009412; 0.0000635]	Pa×s	[446.02; 724.76]	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			-1.39800e+01
Coefficient B			3.12734e+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.			446.02
Temperature range, max.			724.76
η	0.0009412	Pa×s	446.02	Calculated Property
η	0.0005970	Pa×s	476.99	Calculated Property
η	0.0004003	Pa×s	507.96	Calculated Property
η	0.0002810	Pa×s	538.93	Calculated Property
η	0.0002050	Pa×s	569.90	Calculated Property
η	0.0001545	Pa×s	600.88	Calculated Property
η	0.0001197	Pa×s	631.85	Calculated Property
η	0.0000950	Pa×s	662.82	Calculated Property
η	0.0000769	Pa×s	693.79	Calculated Property
η	0.0000635	Pa×s	724.76	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-bromobenzyl 2-methylhex-3-yl 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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