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CAS No.: | 55881-52-2 |
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Name: | DIETHYLPHOSPHONOPENTANOIC ACID |
Molecular Structure: | |
Formula: | C9H19O5P |
Molecular Weight: | 238.221 |
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 |
Density: | 1.142g/cm3 |
Boiling Point: | 367.9 °C at 760 mmHg |
Flash Point: | 176.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 82.64000 |
LogP: | 2.50740 |
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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