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CAS No.: | 4890-38-4 |
---|---|
Name: | butyl 3-hydroxypropanoate |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C7H14O3 |
Molecular Weight: | 146.186 |
Synonyms: | 3-Hydroxypropanoic acid butyl ester; |
Density: | 1.008 g/cm3 |
Boiling Point: | 230.488 °C at 760 mmHg |
Flash Point: | 92.734 °C |
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The Propanoic acid, 3-hydroxy-, butyl ester, with the CAS registry number 4890-38-4, is also known as 3-Hydroxypropanoic acid butyl ester. This chemical's molecular formula is C7H14O3 and molecular weight is 146.09. What's more, its systematic name is called Butyl 3-hydroxypropanoate.
Physical properties about Propanoic acid, 3-hydroxy-, butyl ester are: (1)ACD/LogP: 0.763; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/LogD (pH 7.4): 0.76; (5)ACD/BCF (pH 5.5): 2.24; (6)ACD/BCF (pH 7.4): 2.24; (7)ACD/KOC (pH 5.5): 61.96; (8)ACD/KOC (pH 7.4): 61.96; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 37.789 cm3; (15)Molar Volume: 145.071 cm3; (16)Polarizability: 14.981×10-24cm3; (17)Surface Tension: 34.705 dyne/cm; (18)Density: 1.008 g/cm3; (19)Flash Point: 92.734 °C; (20)Enthalpy of Vaporization: 54.303 kJ/mol; (21)Boiling Point: 230.488 °C at 760 mmHg; (22)Vapour Pressure: 0.0120 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCC)CCO
(2) InChI: InChI=1S/C7H14O3/c1-2-3-6-10-7(9)4-5-8/h8H,2-6H2,1H3
(3) InChIKey: MENWVOUYOZQBDM-UHFFFAOYSA-N