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

InChI

InChI=1S/C16H21BrO5/c1-3-4-9-21-15(18)7-8-16(19)22-11-12-10-13(17)5-6-14(12)20-2/h5-6,10H,3-4,7-9,11H2,1-2H3

InChI Key

ONTSINWOGTYNRQ-UHFFFAOYSA-N

Formula

C16H21BrO5

SMILES

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

Molecular Weight¹

373.24

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8735		Relay (1.0) Calculated Property
ΔfG°	-381.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-853.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.51	kJ/mol	Joback Calculated Property
ΔvapH°	97.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.20	eV	Relay (1.0) Calculated Property
log10WS	-4.53		Relay (1.0) Calculated Property
logPoct/wat	3.624		Crippen Calculated Property
McVol	250.790	ml/mol	McGowan Calculated Property
Pc	1875.65	kPa	Joback Calculated Property
Inp	[2449.00; 2449.00]
Inp	2449.00		NIST
Inp	2449.00		NIST
Tboil	640.42	K	Relay (1.0) Calculated Property
Tc	835.44	K	Relay (1.0) Calculated Property
Tfus	305.30	K	Relay (1.0) Calculated Property
Vc	0.909	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[713.35; 775.28]	J/mol×K	[843.28; 1055.51]
Cp,gas	713.35	J/mol×K	843.28	Joback Calculated Property
Cp,gas	726.34	J/mol×K	878.65	Joback Calculated Property
Cp,gas	738.26	J/mol×K	914.02	Joback Calculated Property
Cp,gas	749.11	J/mol×K	949.40	Joback Calculated Property
Cp,gas	758.90	J/mol×K	984.77	Joback Calculated Property
Cp,gas	767.62	J/mol×K	1020.14	Joback Calculated Property
Cp,gas	775.28	J/mol×K	1055.51	Joback Calculated Property
η	[0.0000583; 0.0003705]	Pa×s	[547.89; 843.28]
η	0.0003705	Pa×s	547.89	Joback Calculated Property
η	0.0002398	Pa×s	597.12	Joback Calculated Property
η	0.0001658	Pa×s	646.35	Joback Calculated Property
η	0.0001208	Pa×s	695.59	Joback Calculated Property
η	0.0000918	Pa×s	744.82	Joback Calculated Property
η	0.0000722	Pa×s	794.05	Joback Calculated Property
η	0.0000583	Pa×s	843.28	Joback Calculated Property

Similar Compounds

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

Sources

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

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