Chemical Properties of Succinic acid, 2,4,6-trichlorophenyl 5-methoxy-3-methylpent-2-yl ester

InChI

InChI=1S/C17H21Cl3O5/c1-10(6-7-23-3)11(2)24-15(21)4-5-16(22)25-17-13(19)8-12(18)9-14(17)20/h8-11H,4-7H2,1-3H3

InChI Key

CSFSODINFHGAMS-UHFFFAOYSA-N

Formula

C17H21Cl3O5

SMILES

COCCC(C)C(C)OC(=O)CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

411.70

• 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	0.8810		Relay (1.0) Calculated Property
ΔfG°	-437.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-947.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.97	kJ/mol	Joback Calculated Property
ΔvapH°	103.42	kJ/mol	Relay (1.0) Calculated Property
IE	8.58	eV	Relay (1.0) Calculated Property
log10WS	-5.00		Relay (1.0) Calculated Property
logPoct/wat	4.937		Crippen Calculated Property
McVol	284.100	ml/mol	McGowan Calculated Property
Pc	1497.67	kPa	Joback Calculated Property
Inp	[2615.00; 2615.00]
Inp	2615.00		NIST
Inp	2615.00		NIST
Tboil	617.88	K	Relay (1.0) Calculated Property
Tc	875.94	K	Relay (1.0) Calculated Property
Tfus	319.99	K	Relay (1.0) Calculated Property
Vc	1.003	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[804.15; 853.07]	J/mol×K	[916.39; 1135.91]
Cp,gas	804.15	J/mol×K	916.39	Joback Calculated Property
Cp,gas	815.46	J/mol×K	952.98	Joback Calculated Property
Cp,gas	825.52	J/mol×K	989.56	Joback Calculated Property
Cp,gas	834.31	J/mol×K	1026.15	Joback Calculated Property
Cp,gas	841.84	J/mol×K	1062.74	Joback Calculated Property
Cp,gas	848.09	J/mol×K	1099.32	Joback Calculated Property
Cp,gas	853.07	J/mol×K	1135.91	Joback Calculated Property
η	[0.0000342; 0.0002886]	Pa×s	[571.64; 916.39]
η	0.0002886	Pa×s	571.64	Joback Calculated Property
η	0.0001720	Pa×s	629.10	Joback Calculated Property
η	0.0001118	Pa×s	686.56	Joback Calculated Property
η	0.0000777	Pa×s	744.01	Joback Calculated Property
η	0.0000568	Pa×s	801.47	Joback Calculated Property
η	0.0000434	Pa×s	858.93	Joback Calculated Property
η	0.0000342	Pa×s	916.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,4,6-trichlorophenyl 5-methoxy-3-methylpent-2-yl ester.

Sources

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

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