-
Name
Bistetradecanoic acid 1,4-butanediyl
- EINECS
- CAS No. 26719-58-4
- Density 0.906 g/cm3
- Solubility
- Melting Point
- Formula C32H62O4
- Boiling Point 572.6 °C at 760 mmHg
- Molecular Weight 510.842
- Flash Point 269.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Myristicacid, diester with 1,4-butanediol (6CI);Myristic acid, tetramethylene ester(8CI);Tetradecanoic acid, 1,4-butanediyl ester (9CI);1,4-Butanediol,dimyristate (8CI);butane-1,4-diyl ditetradecanoate;Tetradecanoic acid, 1,4-butanediyl ester;
- PSA 52.60000
- LogP 10.25520
Tetradecanoic acid,1,1'-(1,4-butanediyl) ester Specification
The Tetradecanoic acid,1,1'-(1,4-butanediyl) ester, with the CAS registry number 26719-58-4, has the systamtic name of butane-1,4-diyl ditetradecanoate. It is also called Tetradecanoic acid, 1,4-butanediyl ester. And the molecular formula of the chemical is C32H62O4.
The characteristics of Tetradecanoic acid,1,1'-(1,4-butanediyl) ester are as followings: (1)ACD/LogP: 13.72; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 13.72; (4)ACD/LogD (pH 7.4): 13.72; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 31; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.458; (14)Molar Refractivity: 153.85 cm3; (15)Molar Volume: 563.7 cm3; (16)Polarizability: 60.99×10-24cm3; (17)Surface Tension: 33.3 dyne/cm; (18)Density: 0.906 g/cm3; (19)Flash Point: 269.7 °C; (20)Enthalpy of Vaporization: 85.83 kJ/mol; (21)Boiling Point: 572.6 °C at 760 mmHg; (22)Vapour Pressure: 4.05E-13 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCCCCOC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC
(2)InChI: InChI=1/C32H62O4/c1-3-5-7-9-11-13-15-17-19-21-23-27-31(33)35-29-25-26-30-36-32(34)28-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
(3)InChIKey: HAVZZMORNRVMDE-UHFFFAOYAM
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