Chemical Properties of Tridiphane (CAS 58138-08-2)

InChI

InChI=1S/C10H7Cl5O/c11-7-1-6(2-8(12)3-7)9(5-16-9)4-10(13,14)15/h1-3H,4-5H2

InChI Key

IBZHOAONZVJLOB-UHFFFAOYSA-N

Formula

C10H7Cl5O

SMILES

Clc1cc(Cl)cc(C2(CC(Cl)(Cl)Cl)CO2)c1

Molecular Weight¹

320.43

CAS

58138-08-2

Other Names

• (.+/-.)-2-(3,5-Dichlorophenyl)-2-(2,2,2-trichloroethyl)oxirane
• (Rs)-2-(3,5-dichlorophenyl)-2-(2,2,2-trichloroethyl)oxirane
• 2-(3,5-Dichlorophenyl)-2-(2,2,2-trichloroethyl)oxirane
• Dowco 356
• Nelpon
• Tandem

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	28.31	kJ/mol	Joback Calculated Property
logPoct/wat	4.979		Crippen Calculated Property
McVol	184.210	ml/mol	McGowan Calculated Property
Tfus	[315.21; 315.95]	K
Tfus	315.95	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	315.21 ± 0.20	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[221.02; 460.04]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-5.44390e+01
Coefficient B			1.35550e+00
Coefficient C			-1.43002e-03
Coefficient D			5.89000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	221.02	J/mol×K	273.00	Calculated Property
Cp,gas	272.21	J/mol×K	353.78	Calculated Property
Cp,gas	312.89	J/mol×K	434.56	Calculated Property
Cp,gas	344.94	J/mol×K	515.33	Calculated Property
Cp,gas	370.20	J/mol×K	596.11	Calculated Property
Cp,gas	390.55	J/mol×K	676.89	Calculated Property
Cp,gas	407.85	J/mol×K	757.67	Calculated Property
Cp,gas	423.95	J/mol×K	838.44	Calculated Property
Cp,gas	440.73	J/mol×K	919.22	Calculated Property
Cp,gas	460.04	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Tridiphane.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Crippen Method
• Joback 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.