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Name |
Pentanoic acid,4-chloro-, ethyl ester, (R)- (9CI) |
EINECS | N/A |
CAS No. | 41869-16-3 | Density | 1.033 g/cm3 |
PSA | 26.30000 | LogP | 1.95700 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H13ClO2 | Boiling Point | 195.999 °C at 760 mmHg |
Molecular Weight | 164.632 | Flash Point | 73.958 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Chloro-pentanoic acid ethyl ester; |
Article Data | 10 |
The Pentanoic acid,4-chloro-, ethyl ester, (R)- (9CI), with the CAS registry number 41869-16-3, is also known as 4-Chloro-pentanoic acid ethyl ester. This chemical's molecular formula is C7H13ClO2 and molecular weight is 164.6299. Its systematic name is called ethyl 4-chloropentanoate.
Physical properties of Pentanoic acid,4-chloro-, ethyl ester, (R)- (9CI): (1)ACD/LogP: 2.16; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 21; (5)ACD/BCF (pH 7.4): 21; (6)ACD/KOC (pH 5.5): 308; (7)ACD/KOC (pH 7.4): 308; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.429; (11)Molar Refractivity: 41.062 cm3; (12)Molar Volume: 159.326 cm3; (13)Surface Tension: 29.465 dyne/cm; (14)Density: 1.033 g/cm3; (15)Flash Point: 73.958 °C; (16)Enthalpy of Vaporization: 43.22 kJ/mol; (17)Boiling Point: 195.999 °C at 760 mmHg; (18)Vapour Pressure: 0.408 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(C)CCC(=O)OCC
(2)InChI: InChI=1/C7H13ClO2/c1-3-10-7(9)5-4-6(2)8/h6H,3-5H2,1-2H3
(3)InChIKey: OJAYUEGXOWQYTB-UHFFFAOYAV