Chemical Properties of Oxeladin (CAS 468-61-1)

Oxeladin

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InChI
InChI=1S/C20H33NO3/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4/h9-13H,5-8,14-17H2,1-4H3
InChI Key
IQADUMSPOQKAAO-UHFFFAOYSA-N
Formula
C20H33NO3
SMILES
CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1
Molecular Weight1
335.48
CAS
468-61-1
Other Names
  • 2-(2-Diethylaminoethoxy)ethyl 2-ethyl-2-phenylbutyrate
  • 2-(2-Diethylaminoethoxy)ethyl «alpha»,«alpha»-diethylphenylacetate
  • 2-Ethyl-2-phenylbutyric acid 2-(2-diethylaminoethoxy)ethyl ester
  • Benzeneacetic acid, «alpha»,«alpha»-diethyl-, 2-[2-(diethylamino)ethoxy]ethyl ester
  • Butyric acid, 2-ethyl-2-phenyl-, 2-(2-(diethylamino)ethoxy)ethyl ester
  • Ethanol, 2-(2-(diethylamino)ethoxy)-, 2-ethyl-2-phenylbutyrate
  • «alpha»,«alpha»-Diethylbenzeneacetic acid 2-(2-(diethylamino)ethoxy)ethyl ester
Sources

Physical Properties

Property Value Unit Source
Δf 4.63 kJ/mol Joback Calculated Property
Δfgas -537.84 kJ/mol Joback Calculated Property
Δfus 41.18 kJ/mol Joback Calculated Property
Δvap 74.70 kJ/mol Joback Calculated Property
logPoct/wat 3.65 Crippen Calculated Property
Pc 1311.80 kPa Joback Calculated Property
Tboil 791.60 K Joback Calculated Property
Tc 987.86 K Joback Calculated Property
Tfus 470.86 K Joback Calculated Property
Vc 1.10 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 900.81 J/mol×K 791.6 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CH3 4
=CH- (ring) 5
>N- 1
=C< (ring) 1
-CH2- 8
>C< 1
>C=O (nonring) 1

Similar Compounds

1-Cyclopentanecarboxylate, 2-(diethylaminoethoxy)ethyl-1-phenyl-. Butamirate Citrate. Cyclopentanecarboxylic acid, 1-phenyl-, 2-(diethylamino)ethyl ester. Etoxeridine. Furethidine. 4-Piperidinecarboxylic acid, 4-phenyl-, ethyl ester. Benzethidine. Properidine. Ethylphenylmalonic acid diethyl ester. Phenoperidine. Hydroxypethidine. Butyric acid, 2-phenyl-, isobutyl ester. Butyric acid, 2-phenyl-, 2-ethylhexyl ester. Benzeneacetic acid, «alpha»-ethyl-, ethyl ester. Butyric acid, 2-phenyl-, pentyl ester.

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