Chemical Properties of 1,2,4-Trichlorodibenzo-p-dioxin

InChI

InChI=1S/C12H5Cl3O2/c13-6-5-7(14)11-12(10(6)15)17-9-4-2-1-3-8(9)16-11/h1-5H

InChI Key

HRVUKLBFRPWXPJ-UHFFFAOYSA-N

Formula

C12H5Cl3O2

SMILES

Clc1cc(Cl)c2c(c1Cl)Oc1ccccc1O2

Molecular Weight¹

287.53

Other Names

• 1,2,4-Trichlorodibenzo-para-dioxin
• 1,2,4-Trichlorodibenzo[b,e] [1,4]dioxin
• 1,2,4-Trichlorodibenzodioxin
• 1,2,4-trichlorooxanthrene
• Dibenzo-p-dioxin, 1,2,4-trichloro-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-82.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.69	kJ/mol	Joback Calculated Property
IE	8.02	eV	Relay (1.0) Calculated Property
log10WS	-7.60		Aq. Solubility Prediction
logPoct/wat	5.545		Crippen Calculated Property
McVol	170.020	ml/mol	McGowan Calculated Property
Inp	[2143.00; 2176.00]
Inp	2143.00		NIST
Inp	2152.00		NIST
Inp	2152.00		NIST
Inp	2176.00		NIST
Inp	2176.00		NIST
Inp	2143.00		NIST
Inp	2152.00		NIST
Tfus	398.84	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[374.96; 419.96]	J/mol×K	[725.55; 990.47]
Cp,gas	374.96	J/mol×K	725.55	Joback Calculated Property
Cp,gas	383.94	J/mol×K	769.70	Joback Calculated Property
Cp,gas	392.18	J/mol×K	813.86	Joback Calculated Property
Cp,gas	399.78	J/mol×K	858.01	Joback Calculated Property
Cp,gas	406.87	J/mol×K	902.16	Joback Calculated Property
Cp,gas	413.56	J/mol×K	946.32	Joback Calculated Property
Cp,gas	419.96	J/mol×K	990.47	Joback Calculated Property
η	[0.0004903; 0.0013574]	Pa×s	[509.04; 725.55]
η	0.0013574	Pa×s	509.04	Joback Calculated Property
η	0.0010829	Pa×s	545.12	Joback Calculated Property
η	0.0008885	Pa×s	581.21	Joback Calculated Property
η	0.0007461	Pa×s	617.30	Joback Calculated Property
η	0.0006387	Pa×s	653.38	Joback Calculated Property
η	0.0005557	Pa×s	689.47	Joback Calculated Property
η	0.0004903	Pa×s	725.55	Joback Calculated Property
ΔsubH	[118.80; 121.00]	kJ/mol	[342.00; 365.50]
ΔsubH	118.80	kJ/mol	342.00	NIST
ΔsubH	121.00 ± 1.80	kJ/mol	365.50	NIST

Similar Compounds

Find more compounds similar to 1,2,4-Trichlorodibenzo-p-dioxin.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.