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Pentanoic acid,5-(diethoxyphosphinyl)-

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Name

Pentanoic acid,5-(diethoxyphosphinyl)-

EINECS N/A
CAS No. 55881-52-2 Density 1.142g/cm3
PSA 82.64000 LogP 2.50740
Solubility N/A Melting Point N/A
Formula C9H19O5P Boiling Point 367.9 °C at 760 mmHg
Molecular Weight 238.221 Flash Point 176.3 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 55881-52-2 (DIETHYLPHOSPHONOPENTANOIC ACID) Hazard Symbols IrritantXi
Synonyms

5-(DIETHYLPHOSPHONO)PENTANOIC ACID;DIETHYLPHOSPHONOPENTANOIC ACID;5-(Diethylphosphono)pentanoic acid, 98 %;5-(Diethylphosphono)pentanoic acid, 5-(Diethoxyphosphoryl)pentanoic acid;Diethyl (4-carboxybut-1-yl)phosphate;Diethyl (4-carboxybut-1-yl)phosphonate

 

Pentanoic acid,5-(diethoxyphosphinyl)- Specification

The Pentanoic acid,5-(diethoxyphosphinyl)-, with CAS registry number 55881-52-2, has the systematic name of 5-(diethoxyphosphoryl)pentanoic acid. Besides this, it is also called Diethylphosphonopentanoic acid. And the chemical formula of this chemical is C9H19O5P.

Physical properties of Pentanoic acid,5-(diethoxyphosphinyl)-: (1)ACD/LogP: 0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.27; (4)ACD/LogD (pH 7.4): -2.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.82; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 71.64 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 55.67 cm3; (15)Molar Volume: 208.5 cm3; (16)Polarizability: 22.07×10-24cm3; (17)Surface Tension: 39.6 dyne/cm; (18)Density: 1.142 g/cm3; (19)Flash Point: 176.3 °C; (20)Enthalpy of Vaporization: 67.49 kJ/mol; (21)Boiling Point: 367.9 °C at 760 mmHg; (22)Vapour Pressure: 2.03E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Pentanoic acid,5-(diethoxyphosphinyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OCC)(OCC)CCCCC(=O)O
(2)InChI: InChI=1/C9H19O5P/c1-3-13-15(12,14-4-2)8-6-5-7-9(10)11/h3-8H2,1-2H3,(H,10,11)
(3)InChIKey: YGEORQNREMLBKS-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C9H19O5P/c1-3-13-15(12,14-4-2)8-6-5-7-9(10)11/h3-8H2,1-2H3,(H,10,11)
(5)Std. InChIKey: YGEORQNREMLBKS-UHFFFAOYSA-N

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