Phosphonic acid,P-dodecyl-, diethyl ester supplier

Name
DIETHYL(1-DODECYL)PHOSPHONATE
EINECS 225-429-2
CAS No. 4844-38-6
Article Data12
CAS DataBase
Density 0.929 g/cm³
Solubility
Melting Point
Formula C₁₆H₃₅O₃P
Boiling Point 379.9 °C at 760 mmHg
Molecular Weight 306.426
Flash Point 197.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Phosphonicacid, dodecyl-, diethyl ester (6CI,7CI,8CI,9CI);Diethyl dodecylphosphonate;NSC 75265;PAE 12;
PSA 45.34000
LogP 6.17340

Phosphonic acid,P-dodecyl-, diethyl ester Specification

The CAS register number of Phosphonic acid,P-dodecyl-, diethyl ester is 4844-38-6. It also can be called as Diethyl dodecylphosphonate and the IUPAC name about this chemical is 1-diethoxyphosphoryldodecane. The molecular formula about this chemical is C₁₆H₃₅O₃P and the molecular weight is 306.42. This chemical is irritant. It may cause inflammation to the skin or other mucous membranes.

Physical properties about Phosphonic acid,P-dodecyl-, diethyl ester are: (1)ACD/LogP: 6.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.13; (4)ACD/LogD (pH 7.4): 6.13; (5)ACD/BCF (pH 5.5): 26865.77; (6)ACD/BCF (pH 7.4): 26865.77; (7)ACD/KOC (pH 5.5): 51523.53; (8)ACD/KOC (pH 7.4): 51523.53; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 15; (11)Polar Surface Area: 45.34 Å²; (12)Index of Refraction: 1.438; (13)Molar Refractivity: 86.53 cm³; (14)Molar Volume: 329.5 cm³; (15)Polarizability: 34.3x10^-24cm³; (16)Surface Tension: 31.4 dyne/cm; (17)Density: 0.929 g/cm³; (18)Flash Point: 197.1 °C; (19)Enthalpy of Vaporization: 60.34 kJ/mol; (20)Boiling Point: 379.9 °C at 760 mmHg; (21)Vapour Pressure: 1.24E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OCC)(OCC)CCCCCCCCCCCC
(2)InChI: InChI=1/C16H35O3P/c1-4-7-8-9-10-11-12-13-14-15-16-20(17,18-5-2)19-6-3/h4-16H2,1-3H3
(3)InChIKey: LRIWHHSVZCKNJL-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C16H35O3P/c1-4-7-8-9-10-11-12-13-14-15-16-20(17,18-5-2)19-6-3/h4-16H2,1-3H3
(5)Std. InChIKey: LRIWHHSVZCKNJL-UHFFFAOYSA-N

Product Name

DIETHYL(1-DODECYL)PHOSPHONATE

Phosphonic acid,P-dodecyl-, diethyl ester Specification

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