Chemical Properties of Succinic acid, 3-chlorophenyl 2-methylbutyl ester

InChI

InChI=1S/C15H19ClO4/c1-3-11(2)10-19-14(17)7-8-15(18)20-13-6-4-5-12(16)9-13/h4-6,9,11H,3,7-8,10H2,1-2H3

InChI Key

CSDSURCFYLQZPI-UHFFFAOYSA-N

Formula

C15H19ClO4

SMILES

CCC(C)COC(=O)CCC(=O)Oc1cccc(Cl)c1

Molecular Weight¹

298.77

• 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).
• 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).
• 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°	34.51	kJ/mol	Joback Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-4.56		Relay (1.0) Calculated Property
logPoct/wat	3.615		Crippen Calculated Property
McVol	225.570	ml/mol	McGowan Calculated Property
Inp	[2088.00; 2088.00]
Inp	2088.00		NIST
Inp	2088.00		NIST
Tboil	608.99	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 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	[620.63; 689.38]	J/mol×K	[763.83; 974.13]
Cp,gas	620.63	J/mol×K	763.83	Joback Calculated Property
Cp,gas	634.52	J/mol×K	798.88	Joback Calculated Property
Cp,gas	647.43	J/mol×K	833.93	Joback Calculated Property
Cp,gas	659.36	J/mol×K	868.98	Joback Calculated Property
Cp,gas	670.31	J/mol×K	904.03	Joback Calculated Property
Cp,gas	680.32	J/mol×K	939.08	Joback Calculated Property
Cp,gas	689.38	J/mol×K	974.13	Joback Calculated Property
η	[0.0000870; 0.0008947]	Pa×s	[456.99; 763.83]
η	0.0008947	Pa×s	456.99	Joback Calculated Property
η	0.0004991	Pa×s	508.13	Joback Calculated Property
η	0.0003097	Pa×s	559.27	Joback Calculated Property
η	0.0002082	Pa×s	610.41	Joback Calculated Property
η	0.0001489	Pa×s	661.55	Joback Calculated Property
η	0.0001117	Pa×s	712.69	Joback Calculated Property
η	0.0000870	Pa×s	763.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-chlorophenyl 2-methylbutyl 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.