Chemical Properties of Succinic acid, 5-bromo-2-methoxybenzyl 2-methylhex-3-yl ester

InChI

InChI=1S/C19H27BrO5/c1-5-6-16(13(2)3)25-19(22)10-9-18(21)24-12-14-11-15(20)7-8-17(14)23-4/h7-8,11,13,16H,5-6,9-10,12H2,1-4H3

InChI Key

ANVGYEQLPHJOIC-UHFFFAOYSA-N

Formula

C19H27BrO5

SMILES

CCCC(OC(=O)CCC(=O)OCc1cc(Br)ccc1OC)C(C)C

Molecular Weight¹

415.32

• 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°	46.39	kJ/mol	Joback Calculated Property
logPoct/wat	4.649		Crippen Calculated Property
McVol	293.060	ml/mol	McGowan Calculated Property
Inp	[2602.00; 2602.00]
Inp	2602.00		NIST
Inp	2602.00		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	[417.82; 919.82]	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			6.14550e+01
Coefficient B			1.48818e+00
Coefficient C			-6.84520e-04
Coefficient D			5.47000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	417.82	J/mol×K	273.00	Calculated Property
Cp,gas	504.69	J/mol×K	353.78	Calculated Property
Cp,gas	583.38	J/mol×K	434.56	Calculated Property
Cp,gas	654.06	J/mol×K	515.33	Calculated Property
Cp,gas	716.92	J/mol×K	596.11	Calculated Property
Cp,gas	772.12	J/mol×K	676.89	Calculated Property
Cp,gas	819.84	J/mol×K	757.67	Calculated Property
Cp,gas	860.24	J/mol×K	838.44	Calculated Property
Cp,gas	893.51	J/mol×K	919.22	Calculated Property
Cp,gas	919.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004507; 0.0000425]	Pa×s	[492.04; 760.22]	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			-1.43959e+01
Coefficient B			3.29233e+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.			492.04
Temperature range, max.			760.22
η	0.0004507	Pa×s	492.04	Calculated Property
η	0.0003076	Pa×s	521.84	Calculated Property
η	0.0002187	Pa×s	551.64	Calculated Property
η	0.0001611	Pa×s	581.43	Calculated Property
η	0.0001222	Pa×s	611.23	Calculated Property
η	0.0000952	Pa×s	641.03	Calculated Property
η	0.0000758	Pa×s	670.83	Calculated Property
η	0.0000615	Pa×s	700.62	Calculated Property
η	0.0000508	Pa×s	730.42	Calculated Property
η	0.0000425	Pa×s	760.22	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 5-bromo-2-methoxybenzyl 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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