-
Name
Resin acids and Rosin acids, hydrogenated, esters with pentaerythritol
- EINECS 264-848-5
- CAS No. 64365-17-9
- Density 1.346 g/cm3
- Solubility
- Melting Point
- Formula C5H12O4
- Boiling Point 380.4 °C at 760 mmHg
- Molecular Weight 136.1464
- Flash Point 200.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Resin acidsand Rosin acids, hydrogenated, esters with pentaerythritol;Ester GumHP;Foral 105;Foral 105E;Foralyn 110;Hydrogenated resin acid pentaerythritolesters;KE 359;Pentalyn C;Pentalyn H;Pentalyn H-E;Pentalyn K;PinecrystalKE 359;Rikatac F 105;Rikatac PH;Super Ester 75;Super Ester A 115;
- PSA 86.99000
- LogP 3.62810
Resin acids,hydrogenated, esters with pentaerythritol Specification
The Resin acids,hydrogenated, esters with pentaerythritol, with the CAS registry number 64365-17-9, is also known as Pentaerythrital. This chemical's molecular formula is C5H12O4 and molecular weight is 136.1464. Its systematic name is called 2,2-bis(hydroxymethyl)propane-1,3-diol.
Physical properties of Resin acids,hydrogenated, esters with pentaerythritol: (1)ACD/LogP: -2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.36; (4)ACD/LogD (pH 7.4): -2.36; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.23; (8)ACD/KOC (pH 7.4): 1.23; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.531; (13)Molar Refractivity: 31.31 cm3; (14)Molar Volume: 101.1 cm3; (15)Surface Tension: 70.5 dyne/cm; (16)Density: 1.346 g/cm3; (17)Flash Point: 200.1 °C; (18)Enthalpy of Vaporization: 72.71 kJ/mol; (19)Boiling Point: 380.4 °C at 760 mmHg; (20)Vapour Pressure: 2.38E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCC(CO)(CO)CO
(2)InChI: InChI=1/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2
(3)InChIKey: WXZMFSXDPGVJKK-UHFFFAOYAH
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