Chemical Properties of Succinic acid, 2,2-dichloroethyl 3-phenylpropyl ester

InChI

InChI=1S/C15H18Cl2O4/c16-13(17)11-21-15(19)9-8-14(18)20-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2

InChI Key

AILRFBBCUROPLH-UHFFFAOYSA-N

Formula

C15H18Cl2O4

SMILES

O=C(CCC(=O)OCC(Cl)Cl)OCCCc1ccccc1

Molecular Weight¹

333.21

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	42.26	kJ/mol	Joback Calculated Property
ΔvapH°	101.78	kJ/mol	Relay (1.0) Calculated Property
IE	9.24	eV	Relay (1.0) Calculated Property
log10WS	-4.22		Relay (1.0) Calculated Property
logPoct/wat	3.289		Crippen Calculated Property
McVol	237.810	ml/mol	McGowan Calculated Property
Pc	1760.97	kPa	Joback Calculated Property
Inp	[2350.00; 2350.00]
Inp	2350.00		NIST
Inp	2350.00		NIST
Tboil	635.47	K	Relay (1.0) Calculated Property
Tfus	305.94	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation 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	[638.31; 701.73]	J/mol×K	[760.34; 969.41]
Cp,gas	638.31	J/mol×K	760.34	Joback Calculated Property
Cp,gas	651.52	J/mol×K	795.18	Joback Calculated Property
Cp,gas	663.65	J/mol×K	830.03	Joback Calculated Property
Cp,gas	674.71	J/mol×K	864.87	Joback Calculated Property
Cp,gas	684.72	J/mol×K	899.72	Joback Calculated Property
Cp,gas	693.73	J/mol×K	934.56	Joback Calculated Property
Cp,gas	701.73	J/mol×K	969.41	Joback Calculated Property
η	[0.0000599; 0.0014637]	Pa×s	[414.73; 760.34]
η	0.0014637	Pa×s	414.73	Joback Calculated Property
η	0.0006210	Pa×s	472.33	Joback Calculated Property
η	0.0003174	Pa×s	529.93	Joback Calculated Property
η	0.0001851	Pa×s	587.53	Joback Calculated Property
η	0.0001188	Pa×s	645.14	Joback Calculated Property
η	0.0000820	Pa×s	702.74	Joback Calculated Property
η	0.0000599	Pa×s	760.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2-dichloroethyl 3-phenylpropyl 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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