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Name |
Hexanoic acid,2-chloro-, methyl ester |
EINECS | 238-996-6 |
CAS No. | 14925-60-1 | Density | 1.033 g/cm3 |
PSA | 26.30000 | LogP | 1.95700 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H13ClO2 | Boiling Point | 184.5 °C at 760 mmHg |
Molecular Weight | 164.632 | Flash Point | 74.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Chlorohexanoicacid methyl ester;Methyl 2-chlorohexanoate;2-Chlorocaproic acid methyl ester; |
Article Data | 10 |
The Hexanoic acid,2-chloro-, methyl ester, with the CAS registry number 14925-60-1, is also known as 2-Chlorocaproic acid methyl ester. Its EINECS registry number is 238-996-6. This chemical's molecular formula is C7H13ClO2 and molecular weight is 164.6299. What's more, its systematic name is Methyl 2-chlorohexanoate.
Physical properties about Hexanoic acid,2-chloro-, methyl ester are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 35.96; (6)ACD/BCF (pH 7.4): 35.96; (7)ACD/KOC (pH 5.5): 452.15; (8)ACD/KOC (pH 7.4): 452.15; (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: 1.428; (14)Molar Refractivity: 41.06 cm3; (15)Molar Volume: 159.3 cm3; (16)Polarizability: 16.27×10-24 cm3; (17)Surface Tension: 29.4 dyne/cm; (18)Density: 1.033 g/cm3; (19)Flash Point: 74.5 °C; (20)Enthalpy of Vaporization: 42.08 kJ/mol; (21)Boiling Point: 184.5 °C at 760 mmHg; (22)Vapour Pressure: 0.73 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(C(=O)OC)CCCC
(2)InChI: InChI=1/C7H13ClO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5H2,1-2H3
(3)InChIKey: ZKEGALQDZGNQIK-UHFFFAOYAK