Chemical Properties of Succinic acid, 2,4-dichlorophenethyl isobutyl ester

InChI

InChI=1S/C16H20Cl2O4/c1-11(2)10-22-16(20)6-5-15(19)21-8-7-12-3-4-13(17)9-14(12)18/h3-4,9,11H,5-8,10H2,1-2H3

InChI Key

SFIOYBKDFMBGAK-UHFFFAOYSA-N

Formula

C16H20Cl2O4

SMILES

CC(C)COC(=O)CCC(=O)OCCc1ccc(Cl)cc1Cl

Molecular Weight¹

347.23

• ω : Acentric Factor.
• 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).
• 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_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
ω	0.8195		Relay (1.0) Calculated Property
ΔfG°	-317.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-817.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.90	kJ/mol	Joback Calculated Property
ΔvapH°	98.01	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-5.03		Relay (1.0) Calculated Property
logPoct/wat	4.058		Crippen Calculated Property
McVol	251.900	ml/mol	McGowan Calculated Property
Pc	1697.70	kPa	Joback Calculated Property
Inp	[2334.00; 2334.00]
Inp	2334.00		NIST
Inp	2334.00		NIST
Tboil	632.34	K	Relay (1.0) Calculated Property
Tc	830.45	K	Relay (1.0) Calculated Property
Tfus	310.93	K	Relay (1.0) Calculated Property
Vc	0.923	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[699.46; 761.71]	J/mol×K	[829.12; 1042.01]
Cp,gas	699.46	J/mol×K	829.12	Joback Calculated Property
Cp,gas	712.39	J/mol×K	864.60	Joback Calculated Property
Cp,gas	724.28	J/mol×K	900.08	Joback Calculated Property
Cp,gas	735.15	J/mol×K	935.56	Joback Calculated Property
Cp,gas	745.00	J/mol×K	971.05	Joback Calculated Property
Cp,gas	753.85	J/mol×K	1006.53	Joback Calculated Property
Cp,gas	761.71	J/mol×K	1042.01	Joback Calculated Property
η	[0.0000669; 0.0005767]	Pa×s	[510.70; 829.12]
η	0.0005767	Pa×s	510.70	Joback Calculated Property
η	0.0003401	Pa×s	563.77	Joback Calculated Property
η	0.0002196	Pa×s	616.84	Joback Calculated Property
η	0.0001520	Pa×s	669.91	Joback Calculated Property
η	0.0001111	Pa×s	722.98	Joback Calculated Property
η	0.0000847	Pa×s	776.05	Joback Calculated Property
η	0.0000669	Pa×s	829.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,4-dichlorophenethyl isobutyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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