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| CAS No.: | 10233-13-3 |
|---|---|
| Name: | ISOPROPYL LAURATE |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C15H30O2 |
| Molecular Weight: | 242.402 |
| Synonyms: | Lauricacid, isopropyl ester (6CI,7CI,8CI);Dodecanoic acid isopropyl ester;Emcol-IL;Isopropyl dodecanoate; |
| EINECS: | 233-560-1 |
| Density: | 0.866 g/cm3 |
| Melting Point: | 4.2°C (estimate) |
| Boiling Point: | 281.345 °C at 760 mmHg |
| Flash Point: | 124.987 °C |
| Appearance: | colourless oily liquid |
| PSA: | 26.30000 |
| LogP: | 4.85890 |
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Specification
The IUPAC name of Dodecanoic acid,1-methylethyl ester is propan-2-yl dodecanoate. With the CAS registry number 10233-13-3, it is also named as Isopropyl dodecanoate. In addition, its molecular formula is C15H30O2 and its molecular weight is 242.3975.
The other characteristics of Dodecanoic acid,1-methylethyl ester can be summarized as: (1)EINECS: 233-560-1; (2)ACD/LogP: 6.37; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 6.37; (5)ACD/LogD (pH 7.4): 6.37; (6)ACD/BCF (pH 5.5): 40796.32; (7)ACD/BCF (pH 7.4): 40796.32; (8)ACD/KOC (pH 5.5): 69480.91; (9)ACD/KOC (pH 7.4): 69480.91; (10)#H bond acceptors: 2; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 12; (13)Polar Surface Area: 26.3 Å2; (14)Index of Refraction: 1.436; (15)Molar Refractivity: 73.27 cm3; (16)Molar Volume: 279.9 cm3; (17)Polarizability: 29.04×10-24cm3; (18)Surface Tension: 29.2 dyne/cm; (19)Density: 0.865 g/cm3; (20)Flash Point: 125 °C; (21)Enthalpy of Vaporization: 52.01 kJ/mol; (22)Boiling Point: 281.3 °C at 760 mmHg; (23)Vapour Pressure: 0.00358 mmHg at 25 °C; (24)Water Solubility: 0.134 mg/L at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OC(C)C)CCCCCCCCCCC
(2)InChI: InChI=1/C15H30O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h14H,4-13H2,1-3H3
(3)InChIKey: UJPPXNXOEVDSRW-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h14H,4-13H2,1-3H3
(5)Std. InChIKey: UJPPXNXOEVDSRW-UHFFFAOYSA-N
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