Chemical Properties of Succinic acid, 3-iodobenzyl isobutyl ester

InChI

InChI=1S/C15H19IO4/c1-11(2)9-19-14(17)6-7-15(18)20-10-12-4-3-5-13(16)8-12/h3-5,8,11H,6-7,9-10H2,1-2H3

InChI Key

FOVZNGCBELPMJV-UHFFFAOYSA-N

Formula

C15H19IO4

SMILES

CC(C)COC(=O)CCC(=O)OCc1cccc(I)c1

Molecular Weight¹

390.21

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-645.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.88	kJ/mol	Joback Calculated Property
ΔvapH°	91.18	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.314		Crippen Calculated Property
McVol	239.150	ml/mol	McGowan Calculated Property
Pc	1816.95	kPa	Joback Calculated Property
Inp	[2300.00; 2300.00]
Inp	2300.00		NIST
Inp	2300.00		NIST
Tboil	639.11	K	Relay (1.0) Calculated Property
Tc	844.13	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[635.56; 699.08]	J/mol×K	[783.60; 1007.66]
Cp,gas	635.56	J/mol×K	783.60	Joback Calculated Property
Cp,gas	648.99	J/mol×K	820.94	Joback Calculated Property
Cp,gas	661.25	J/mol×K	858.29	Joback Calculated Property
Cp,gas	672.36	J/mol×K	895.63	Joback Calculated Property
Cp,gas	682.35	J/mol×K	932.97	Joback Calculated Property
Cp,gas	691.24	J/mol×K	970.32	Joback Calculated Property
Cp,gas	699.08	J/mol×K	1007.66	Joback Calculated Property
η	[0.0000583; 0.0012827]	Pa×s	[425.47; 783.60]
η	0.0012827	Pa×s	425.47	Joback Calculated Property
η	0.0005582	Pa×s	485.16	Joback Calculated Property
η	0.0002914	Pa×s	544.85	Joback Calculated Property
η	0.0001730	Pa×s	604.53	Joback Calculated Property
η	0.0001128	Pa×s	664.22	Joback Calculated Property
η	0.0000789	Pa×s	723.91	Joback Calculated Property
η	0.0000583	Pa×s	783.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-iodobenzyl isobutyl ester.

Sources

• Cheméo Relay (1.0)
• 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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