Chemical Properties of 4-Isopropyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-oxide (CAS 51052-72-3)

4-Isopropyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-oxide

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InChI
InChI=1S/C7H13O4P/c1-6(2)7-3-9-12(8,10-4-7)11-5-7/h6H,3-5H2,1-2H3
InChI Key
CIEZMYRJRCLYNF-UHFFFAOYSA-N
Formula
C7H13O4P
SMILES
CC(C)C12COP(=O)(OC1)OC2
Molecular Weight1
192.15
CAS
51052-72-3
Other Names
  • 1,3-Propanediol, 2-(hydroxymethyl)-2-isopropyl-, cyclic phosphate (1:1)
  • 2-(Hydroxymethyl)-2-isopropyl-1,3-propanediol, cyclic phosphate (1:1)
  • 4-Isopropyl-2,6,7-trioxa-1-fosfabicyklo(2.2.2)oktan-1-oxid
  • 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octan-1-oxide, 4-isopropyl-
  • 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-(1-methylethyl)-, 1-oxide
  • 4-Isopropylbicyclophosphate
  • Isopropyl bicyclic phosphate
  • 4-Isopropyl-1-phospha-2,6,7-trioxabicyclo(2,2,2)octane 1-oxide
  • Isopropylbicyclophosphate
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Physical Properties

Property Value Unit Source
ω 0.3979 Relay (... Calculated Property
ΔfG° -374.36 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas -775.00 kJ/mol Relay (... Calculated Property
ΔvapH° 72.57 kJ/mol Relay (... Calculated Property
IE 10.40 eV Relay (... Calculated Property
log10WS -0.51 Relay (... Calculated Property
logPoct/wat 1.814 Crippen Calculated Property
McVol 131.710 ml/mol McGowan Calculated Property
Pc 3158.45 kPa Relay (... Calculated Property ⚠️
Tboil 562.38 K Relay (... Calculated Property
Tc 746.56 K Relay (... Calculated Property
Tfus 445.13 K Relay (... Calculated Property
Vc 0.482 m3/kmol Relay (... Calculated Property

Similar Compounds

4-Isopropyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane. 4-Ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-oxide. Trimethylolpropane phosphite. Phosphonic acid, chloro, cyclic 2-ethyl-2-hydroxy-methyltrimethylene ester. Phosphoric acid, tris(2,2-dimethylpentyl) ester. Phosphoric acid, tris(2,2,4-trimethylpentyl) ester. Phosphoric acid, tris(2-ethylhexyl) ester. 1,3-Propanediol,2,2-dimethyl-, bis(diethylphosphate). Phosphoric acid, diethyl 2-ethylhexyl ester. Phosphorous acid, bis(2,2-dimethylpentyl) ester. 1,3-Propanediol, 2,2-dimethyl-, cyclic 2,2-dichloro-vinyl phosphonate. Phosphorous acid, tris(2,2-dimethylpentyl) ester. Bis(2-ethylhexyl)hydrogen phosphate. 1,3-Propanediol, 2,2-dimethyl-, cyclic hydrogen phosphate. Phosphoric acid, isoamyl-isooctyl ester.

Find more compounds similar to 4-Isopropyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-oxide.

Sources

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