Chemical Properties of Succinic acid, 5-bromo-2-methoxybenzyl propyl ester

InChI

InChI=1S/C15H19BrO5/c1-3-8-20-14(17)6-7-15(18)21-10-11-9-12(16)4-5-13(11)19-2/h4-5,9H,3,6-8,10H2,1-2H3

InChI Key

UGHHRHZFBRUFSA-UHFFFAOYSA-N

Formula

C15H19BrO5

SMILES

CCCOC(=O)CCC(=O)OCc1cc(Br)ccc1OC

Molecular Weight¹

359.22

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	43.08	kJ/mol	Joback Calculated Property
log10WS	-4.20		Relay (1.0) Calculated Property
logPoct/wat	3.234		Crippen Calculated Property
McVol	236.700	ml/mol	McGowan Calculated Property
Pc	1898.60	kPa	Joback Calculated Property
Inp	[2357.00; 2357.00]
Inp	2357.00		NIST
Inp	2357.00		NIST
Tboil	633.88	K	Relay (1.0) Calculated Property
Tc	828.14	K	Relay (1.0) Calculated Property
Tfus	308.75	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[333.60; 712.38]	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			6.84550e+01
Coefficient B			1.09634e+00
Coefficient C			-4.60520e-04
Coefficient D			8.10000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	333.60	J/mol×K	273.00	Calculated Property
Cp,gas	399.04	J/mol×K	353.78	Calculated Property
Cp,gas	458.58	J/mol×K	434.56	Calculated Property
Cp,gas	512.24	J/mol×K	515.33	Calculated Property
Cp,gas	560.07	J/mol×K	596.11	Calculated Property
Cp,gas	602.07	J/mol×K	676.89	Calculated Property
Cp,gas	638.27	J/mol×K	757.67	Calculated Property
Cp,gas	668.71	J/mol×K	838.44	Calculated Property
Cp,gas	693.40	J/mol×K	919.22	Calculated Property
Cp,gas	712.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005407; 0.0000831]	Pa×s	[476.96; 695.75]	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			-1.34771e+01
Coefficient B			2.84005e+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.			476.96
Temperature range, max.			695.75
η	0.0005407	Pa×s	476.96	Calculated Property
η	0.0004051	Pa×s	501.27	Calculated Property
η	0.0003117	Pa×s	525.58	Calculated Property
η	0.0002455	Pa×s	549.89	Calculated Property
η	0.0001973	Pa×s	574.20	Calculated Property
η	0.0001614	Pa×s	598.51	Calculated Property
η	0.0001341	Pa×s	622.82	Calculated Property
η	0.0001130	Pa×s	647.13	Calculated Property
η	0.0000964	Pa×s	671.44	Calculated Property
η	0.0000831	Pa×s	695.75	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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