Chemical Properties of O,p'-methoxychlor (CAS 30667-99-3)

O,p'-methoxychlor

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InChI
InChI=1S/C16H15Cl3O2/c1-20-12-9-7-11(8-10-12)15(16(17,18)19)13-5-3-4-6-14(13)21-2/h3-10,15H,1-2H3
InChI Key
KNLLPAOBVIKLDE-UHFFFAOYSA-N
Formula
C16H15Cl3O2
SMILES
COc1ccc(C(c2ccccc2OC)C(Cl)(Cl)Cl)cc1
Molecular Weight1
345.65
CAS
30667-99-3
Other Names
  • 1-Methoxy-2-(2,2,2-tricloro-1-(4-methoxyphenyl)ethyl)benzene
  • Benzene, 1-methoxy-2-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]-
  • Ethane, 1,1,1-trichloro-2-(o-methoxyphenyl)-2-(p-methoxyphenyl)-
  • o,p-Methoxychlor
Sources

Physical Properties

Property Value Unit Source
Δf 44.01 kJ/mol Joback Calculated Property
Δfgas -249.14 kJ/mol Joback Calculated Property
Δfus 28.53 kJ/mol Joback Calculated Property
Δvap 73.38 kJ/mol Joback Calculated Property
logPoct/wat 5.21 Crippen Calculated Property
Pc 1992.98 kPa Joback Calculated Property
Tboil 782.26 K Joback Calculated Property
Tc 1032.53 K Joback Calculated Property
Tfus 349.72 ± 0.20 K NIST
Vc 0.88 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 606.37 J/mol×K 782.26 Joback Calculated Property
η 0.00 Pa×s 782.26 Joback Calculated Property
ΔfusH 22.45 kJ/mol 347.6 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-Cl 3
=CH- (ring) 8
=C< (ring) 4
>C< 1
-CH3 2

Similar Compounds

Methoxychlor. Benzene, 1-methoxy-2,4-bis(1-methyl-1-phenylethyl)-. Phenol, 2,4'-isopropylidenedi-. Benzoic acid, 2-(1-phenylethyl)-4-methoxyphenyl ester. Phenol, 2-(1-phenylethyl)-. 2,4-Bis(1-phenylethyl)phenol. 2-(.alpha.-Methylbenzyl)-p-cresol. 3-Chlorobenzoic acid, 2-(1-phenylethyl)-4-methoxyphenyl ester. 3-Phenyl-2-benzofuranone. 4-sec-Butyl-2-(.alpha.-methylbenzyl)phenol. Phenol, 4-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)-. 2-(.alpha.,.alpha.-dimethylbenzyl) phenol. 2,4-BIS(DIMETHYLBENZYL)PHENOL. Acetic acid. (o-benzyloxyphenyl)phenyl-, benzyl ester. Bisphenol F diglycidyl ether, ortho-para'.

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