Chemical Properties of 4-Ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-oxide (CAS 1005-93-2)

InChI

InChI=1S/C6H11O4P/c1-2-6-3-8-11(7,9-4-6)10-5-6/h2-5H2,1H3

InChI Key

BYEFHDZWRALTEN-UHFFFAOYSA-N

Formula

C6H11O4P

SMILES

CCC12COP(=O)(OC1)OC2

Molecular Weight¹

178.12

CAS

1005-93-2

Other Names

2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-ethyl-, 1-oxide
1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, cyclic phosphate
4-Aethyl-1-phospha-2,6,7-trioxabicyclo(2.2.2)octan-1-oxid
2-Ethyl-2-(hydroxymethyl)-1,3-propanediol, cyclic phosphate (1:1)
4-Ethyl-1-phospha-2,6,7-trioxabicyclo(2.2.2)octane-1-oxide
2-(Hydroxymethyl)-2-ethyl-1,3-propanediol, cyclic phosphate (1:1)
TMP-P
Trimethyolpropane phosphate
Trimethylopropane phosphate
1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, cyclic phosphate (1:1)
Trimethylolpropane phosphate

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.
¹: Molecular weight from the IUPAC atomic weights tables.

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Please note that you need to enable javascript to get access to all the properties. Here is how to do it for Internet Explorer and for Firefox.

Physical Properties

Property	Value	Unit	Source
log₁₀WS	-2.41		Crippen Calculated Property
logP_oct/wat	1.568		Crippen Calculated Property
McVol	117.620	ml/mol	McGowan Calculated Property
I_np	[1828.00; 1828.00]
I_np	1828.00		NIST
I_np	1828.00		NIST

Similar Compounds

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

Sources

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.