Chemical Properties of Succinic acid, 3-methylbut-2-yl 4-bromo-2-methoxyphenyl ester

InChI

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

InChI Key

XPVWQJCZIVMHEZ-UHFFFAOYSA-N

Formula

C16H21BrO5

SMILES

COc1cc(Br)ccc1OC(=O)CCC(=O)OC(C)C(C)C

Molecular Weight¹

373.24

• 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).
• 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
ΔfG°	-386.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-766.03	kJ/mol	Joback Calculated Property
ΔfusH°	35.46	kJ/mol	Joback Calculated Property
ΔvapH°	81.19	kJ/mol	Joback Calculated Property
log10WS	-4.73		Crippen Calculated Property
logPoct/wat	3.731		Crippen Calculated Property
McVol	250.790	ml/mol	McGowan Calculated Property
Pc	1901.92	kPa	Joback Calculated Property
Inp	[2365.00; 2365.00]
Inp	2365.00		NIST
Inp	2365.00		NIST
Tboil	842.40	K	Joback Calculated Property
Tc	1059.87	K	Joback Calculated Property
Tfus	517.89	K	Joback Calculated Property
Vc	0.940	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[714.48; 776.96]	J/mol×K	[842.40; 1059.87]
Cp,gas	714.48	J/mol×K	842.40	Joback Calculated Property
Cp,gas	727.76	J/mol×K	878.65	Joback Calculated Property
Cp,gas	739.88	J/mol×K	914.89	Joback Calculated Property
Cp,gas	750.87	J/mol×K	951.14	Joback Calculated Property
Cp,gas	760.70	J/mol×K	987.38	Joback Calculated Property
Cp,gas	769.40	J/mol×K	1023.63	Joback Calculated Property
Cp,gas	776.96	J/mol×K	1059.87	Joback Calculated Property
η	[0.0000490; 0.0004453]	Pa×s	[517.89; 842.40]
η	0.0004453	Pa×s	517.89	Joback Calculated Property
η	0.0002590	Pa×s	571.98	Joback Calculated Property
η	0.0001655	Pa×s	626.06	Joback Calculated Property
η	0.0001135	Pa×s	680.14	Joback Calculated Property
η	0.0000823	Pa×s	734.23	Joback Calculated Property
η	0.0000624	Pa×s	788.31	Joback Calculated Property
η	0.0000490	Pa×s	842.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-yl 4-bromo-2-methoxyphenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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