Chemical Properties of Succinic acid, 2,3-dimethylphenyl isohexyl ester

InChI

InChI=1S/C18H26O4/c1-13(2)7-6-12-21-17(19)10-11-18(20)22-16-9-5-8-14(3)15(16)4/h5,8-9,13H,6-7,10-12H2,1-4H3

InChI Key

VHLANOOFCYNUCM-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

Cc1cccc(OC(=O)CCC(=O)OCCCC(C)C)c1C

Molecular Weight¹

306.40

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	40.85	kJ/mol	Joback Calculated Property
log10WS	-4.50		Relay (1.0) Calculated Property
logPoct/wat	3.968		Crippen Calculated Property
McVol	255.600	ml/mol	McGowan Calculated Property
Inp	[2214.00; 2214.00]
Inp	2214.00		NIST
Inp	2214.00		NIST
Tboil	616.35	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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	[748.87; 829.27]	J/mol×K	[764.08; 962.49]
Cp,gas	748.87	J/mol×K	764.08	Joback Calculated Property
Cp,gas	765.03	J/mol×K	797.15	Joback Calculated Property
Cp,gas	780.07	J/mol×K	830.22	Joback Calculated Property
Cp,gas	794.00	J/mol×K	863.29	Joback Calculated Property
Cp,gas	806.83	J/mol×K	896.36	Joback Calculated Property
Cp,gas	818.59	J/mol×K	929.43	Joback Calculated Property
Cp,gas	829.27	J/mol×K	962.49	Joback Calculated Property
η	[0.0000523; 0.0011049]	Pa×s	[413.74; 764.08]
η	0.0011049	Pa×s	413.74	Joback Calculated Property
η	0.0004851	Pa×s	472.13	Joback Calculated Property
η	0.0002553	Pa×s	530.52	Joback Calculated Property
η	0.0001526	Pa×s	588.91	Joback Calculated Property
η	0.0001001	Pa×s	647.30	Joback Calculated Property
η	0.0000704	Pa×s	705.69	Joback Calculated Property
η	0.0000523	Pa×s	764.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,3-dimethylphenyl isohexyl 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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