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tert-Butyl 6-Hydroxyhexanoate

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Name

tert-Butyl 6-Hydroxyhexanoate

EINECS N/A
CAS No. 73839-20-0 Density 0.967 g/cm3
PSA 46.53000 LogP 1.88080
Solubility N/A Melting Point N/A
Formula C10H20O3 Boiling Point 246.8 °C at 760 mmHg
Molecular Weight 188.267 Flash Point 90.8 °C
Transport Information N/A Appearance Colourless Liquid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 73839-20-0 (tert-Butyl 6-Hydroxyhexanoate) Hazard Symbols N/A
Synonyms

tert-Butyl6-hydroxyhexanoate;

Article Data 9

tert-Butyl 6-Hydroxyhexanoate Specification

The systematic name of this chemical is tert-butyl 6-hydroxyhexanoate. With the CAS registry number 73839-20-0, it is also named as Hexanoic acid,6-hydroxy-, 1,1-dimethylethyl ester. The product's categories are All Aliphatics; Aliphatics. In addition, the molecular formula is C10H20O3

The other characteristics of tert-Butyl 6-Hydroxyhexanoate can be summarized as: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.52; (4)ACD/LogD (pH 7.4): 1.52; (5)ACD/BCF (pH 5.5): 8.49; (6)ACD/BCF (pH 7.4): 8.49; (7)ACD/KOC (pH 5.5): 160.91; (8)ACD/KOC (pH 7.4): 160.91; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.443; (14)Molar Refractivity: 51.65 cm3; (15)Molar Volume: 194.6 cm3; (16)Polarizability: 20.47×10-24 cm3; (17)Surface Tension: 33 dyne/cm; (18)Density: 0.967 g/cm3; (19)Flash Point: 90.8 °C; (20)Enthalpy of Vaporization: 56.23 kJ/mol; (21)Boiling Point: 246.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00436 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:CC(C)(C)OC(=O)CCCCCO
2. InChI:InChI=1/C10H20O3/c1-10(2,3)13-9(12)7-5-4-6-8-11/h11H,4-8H2,1-3H3
3. InChIKey:AKNVIQFNWMMKEE-UHFFFAOYAL
4. Std. InChI:InChI=1S/C10H20O3/c1-10(2,3)13-9(12)7-5-4-6-8-11/h11H,4-8H2,1-3H3
5. Std. InChIKey:AKNVIQFNWMMKEE-UHFFFAOYSA-N

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