Chemical Properties of Fumaric acid, di(2,3,5-trichlorophenyl) ester

InChI

InChI=1S/C16H6Cl6O4/c17-7-3-9(19)15(21)11(5-7)25-13(23)1-2-14(24)26-12-6-8(18)4-10(20)16(12)22/h1-6H/b2-1+

InChI Key

QJKRQIKEUMJKOO-OWOJBTEDSA-N

Formula

C16H6Cl6O4

SMILES

O=C(C=CC(=O)Oc1cc(Cl)cc(Cl)c1Cl)Oc1cc(Cl)cc(Cl)c1Cl

Molecular Weight¹

474.93

• 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).
• 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
ΔfG°	-208.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-436.15	kJ/mol	Joback Calculated Property
ΔfusH°	53.90	kJ/mol	Joback Calculated Property
ΔvapH°	104.31	kJ/mol	Joback Calculated Property
log10WS	-7.71		Crippen Calculated Property
logPoct/wat	6.674		Crippen Calculated Property
McVol	272.800	ml/mol	McGowan Calculated Property
Pc	1957.87	kPa	Joback Calculated Property
Inp	[3209.00; 3209.00]
Inp	3209.00		NIST
Inp	3209.00		NIST
Tboil	1030.04	K	Joback Calculated Property
Tc	1290.67	K	Joback Calculated Property
Tfus	716.80	K	Joback Calculated Property
Vc	1.038	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[627.63; 642.23]	J/mol×K	[1030.04; 1290.67]
T(K) Ideal gas heat capacity (J/mol×K) 628 630 632 634 636 638 640 642 1100 1200
Cp,gas	627.63	J/mol×K	1030.04	Joback Calculated Property
Cp,gas	632.60	J/mol×K	1073.48	Joback Calculated Property
Cp,gas	636.51	J/mol×K	1116.92	Joback Calculated Property
Cp,gas	639.40	J/mol×K	1160.36	Joback Calculated Property
Cp,gas	641.30	J/mol×K	1203.79	Joback Calculated Property
Cp,gas	642.23	J/mol×K	1247.23	Joback Calculated Property
Cp,gas	642.22	J/mol×K	1290.67	Joback Calculated Property
η	[0.0000383; 0.0001564]	Pa×s	[716.80; 1030.04]
T(K) Dynamic viscosity (Pa×s) 4.00e-5 6.00e-5 8.00e-5 1.00e-4 1.20e-4 1.40e-4 1.60e-4 800 900 1000
η	0.0001564	Pa×s	716.80	Joback Calculated Property
η	0.0001142	Pa×s	769.01	Joback Calculated Property
η	0.0000868	Pa×s	821.21	Joback Calculated Property
η	0.0000682	Pa×s	873.42	Joback Calculated Property
η	0.0000550	Pa×s	925.63	Joback Calculated Property
η	0.0000455	Pa×s	977.83	Joback Calculated Property
η	0.0000383	Pa×s	1030.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, di(2,3,5-trichlorophenyl) ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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