Basic Information | Post buying leads | Suppliers |
Name |
Hexanoic acid,4-methyl-, methyl ester |
EINECS | N/A |
CAS No. | 2177-82-4 | Density | 0.876 g/cm3 |
PSA | 26.30000 | LogP | 1.98570 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H16O2 | Boiling Point | 156.3 °C at 760 mmHg |
Molecular Weight | 144.214 | Flash Point | 46.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Methylhexanoicacid methyl ester;Methyl 4-methylhexanoate; |
The CAS registry number of Hexanoic acid,4-methyl-, methyl ester is 2177-82-4. This chemical's molecular formula is C8H16O2 and molecular weight is 144.21. What's more, its systematic name is Methyl 4-methylhexanoate.
Physical properties about Hexanoic acid,4-methyl-, methyl ester are: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 2.65; (5)ACD/BCF (pH 5.5): 60.79; (6)ACD/BCF (pH 7.4): 60.79; (7)ACD/KOC (pH 5.5): 658.39; (8)ACD/KOC (pH 7.4): 658.39; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.411; (14)Molar Refractivity: 40.84 cm3; (15)Molar Volume: 164.4 cm3; (16)Polarizability: 16.19×10-24 cm3; (17)Surface Tension: 26.3 dyne/cm; (18)Density: 0.876 g/cm3; (19)Flash Point: 46.7 °C; (20)Enthalpy of Vaporization: 39.3 kJ/mol; (21)Boiling Point: 156.3 °C at 760 mmHg; (22)Vapour Pressure: 2.91 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CCC(CC)C
(2)InChI: InChI=1/C8H16O2/c1-4-7(2)5-6-8(9)10-3/h7H,4-6H2,1-3H3
(3)InChIKey: OTOLBWRSIUFKOJ-UHFFFAOYAV