Chemical Properties of Succinic acid, 2,4,6-trichlorophenyl 3-phenylpropyl ester

InChI

InChI=1S/C19H17Cl3O4/c20-14-11-15(21)19(16(22)12-14)26-18(24)9-8-17(23)25-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2

InChI Key

NVVCWJKTNAAUTQ-UHFFFAOYSA-N

Formula

C19H17Cl3O4

SMILES

O=C(CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl)OCCCc1ccccc1

Molecular Weight¹

415.69

• 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	0.9064		Relay (1.0) Calculated Property
ΔfG°	-198.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-616.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.05	kJ/mol	Joback Calculated Property
ΔvapH°	121.80	kJ/mol	Relay (1.0) Calculated Property
IE	8.55	eV	Relay (1.0) Calculated Property
log10WS	-6.20		Relay (1.0) Calculated Property
logPoct/wat	5.508		Crippen Calculated Property
McVol	282.650	ml/mol	McGowan Calculated Property
Pc	1674.16	kPa	Joback Calculated Property
Inp	[3010.00; 3010.00]
Inp	3010.00		NIST
Inp	3010.00		NIST
Tboil	661.65	K	Relay (1.0) Calculated Property
Tc	947.02	K	Relay (1.0) Calculated Property
Tfus	340.18	K	Relay (1.0) Calculated Property
Vc	1.018	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[785.07; 825.57]	J/mol×K	[967.29; 1204.77]
Cp,gas	785.07	J/mol×K	967.29	Joback Calculated Property
Cp,gas	794.84	J/mol×K	1006.87	Joback Calculated Property
Cp,gas	803.35	J/mol×K	1046.45	Joback Calculated Property
Cp,gas	810.65	J/mol×K	1086.03	Joback Calculated Property
Cp,gas	816.76	J/mol×K	1125.61	Joback Calculated Property
Cp,gas	821.73	J/mol×K	1165.19	Joback Calculated Property
Cp,gas	825.57	J/mol×K	1204.77	Joback Calculated Property
η	[0.0000427; 0.0002633]	Pa×s	[628.37; 967.29]
η	0.0002633	Pa×s	628.37	Joback Calculated Property
η	0.0001716	Pa×s	684.86	Joback Calculated Property
η	0.0001193	Pa×s	741.34	Joback Calculated Property
η	0.0000874	Pa×s	797.83	Joback Calculated Property
η	0.0000667	Pa×s	854.32	Joback Calculated Property
η	0.0000526	Pa×s	910.80	Joback Calculated Property
η	0.0000427	Pa×s	967.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,4,6-trichlorophenyl 3-phenylpropyl ester.

Sources

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

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