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

InChI

InChI=1S/C15H17Cl3O4/c1-3-10(4-2)21-13(19)5-6-14(20)22-15-11(17)7-9(16)8-12(15)18/h7-8,10H,3-6H2,1-2H3

InChI Key

ZKFVMWMARXUFBJ-UHFFFAOYSA-N

Formula

C15H17Cl3O4

SMILES

CCC(CC)OC(=O)CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

367.65

• 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	0.8191		Relay (1.0) Calculated Property
ΔfG°	-347.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-795.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.12	kJ/mol	Joback Calculated Property
ΔvapH°	96.84	kJ/mol	Relay (1.0) Calculated Property
IE	8.69	eV	Relay (1.0) Calculated Property
log10WS	-5.47		Relay (1.0) Calculated Property
logPoct/wat	5.064		Crippen Calculated Property
McVol	250.050	ml/mol	McGowan Calculated Property
Pc	1760.97	kPa	Joback Calculated Property
Inp	[2247.00; 2247.00]
Inp	2247.00		NIST
Inp	2247.00		NIST
Tboil	594.88	K	Relay (1.0) Calculated Property
Tc	846.94	K	Relay (1.0) Calculated Property
Tfus	316.42	K	Relay (1.0) Calculated Property
Vc	0.898	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[665.23; 718.50]	J/mol×K	[848.65; 1067.46]
Cp,gas	665.23	J/mol×K	848.65	Joback Calculated Property
Cp,gas	676.64	J/mol×K	885.12	Joback Calculated Property
Cp,gas	687.02	J/mol×K	921.59	Joback Calculated Property
Cp,gas	696.40	J/mol×K	958.05	Joback Calculated Property
Cp,gas	704.76	J/mol×K	994.52	Joback Calculated Property
Cp,gas	712.13	J/mol×K	1030.99	Joback Calculated Property
Cp,gas	718.50	J/mol×K	1067.46	Joback Calculated Property
η	[0.0000674; 0.0004634]	Pa×s	[541.87; 848.65]
η	0.0004634	Pa×s	541.87	Joback Calculated Property
η	0.0002925	Pa×s	593.00	Joback Calculated Property
η	0.0001987	Pa×s	644.13	Joback Calculated Property
η	0.0001428	Pa×s	695.26	Joback Calculated Property
η	0.0001074	Pa×s	746.39	Joback Calculated Property
η	0.0000838	Pa×s	797.52	Joback Calculated Property
η	0.0000674	Pa×s	848.65	Joback Calculated Property

Similar Compounds

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

Sources

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

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