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1-Propanol,1-chloro-2-methyl-, 1-propanoate (58304-65-7)

Identification
Name:1-Propanol,1-chloro-2-methyl-, 1-propanoate
Synonyms:1-Propanol,1-chloro-2-methyl-, propanoate (9CI);1-Chloro-2-methylpropyl propanoate;1-Chloroisobutyl propionate;
CAS:58304-65-7
Molecular Formula: C7H13ClO2
Molecular Weight: 164.63
InChI: InChI=1/C7H13ClO2/c1-4-6(9)10-7(8)5(2)3/h5,7H,4H2,1-3H3
Molecular Structure: (C7H13ClO2) 1-Propanol,1-chloro-2-methyl-, propanoate (9CI);1-Chloro-2-methylpropyl propanoate;1-Chloroisobutyl ...
Properties
Flash Point: 56 ºC
Boiling Point: 166.7 ºC
Density:1.030
Refractive index:1.427
Specification:

The cas register number of 1-Chloroisobutyl propionate is 58304-65-7. It also can be called as 1-Propanol,1-chloro-2-methyl-, 1-propanoate and the Systematic name about this chemical is (1-chloro-2-methyl-propyl) propanoate.

Physical properties about 1-Chloroisobutyl propionate are: (1)ACD/LogP: 2.17; (2)ACD/LogD (pH 5.5): 2.17; (3)ACD/LogD (pH 7.4): 2.17; (4)#H bond acceptors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3Å2; (7)Index of Refraction: 1.427; (8)Molar Refractivity: 41.02 cm3; (9)Molar Volume: 159.7 cm3; (10)Polarizability: 16.26x10-24cm3; (11)Surface Tension: 28.3 dyne/cm; (12)Enthalpy of Vaporization: 40.31 kJ/mol; (13)Boiling Point: 166.7 °C at 760 mmHg; (14)Vapour Pressure: 1.77 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCC(=O)OC(C(C)C)Cl
(2)InChI: InChI=1/C7H13ClO2/c1-4-6(9)10-7(8)5(2)3/h5,7H,4H2,1-3H3
(3)InChIKey: IMIXSAYOLYBZBI-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H13ClO2/c1-4-6(9)10-7(8)5(2)3/h5,7H,4H2,1-3H3
(5)Std. InChIKey: IMIXSAYOLYBZBI-UHFFFAOYSA-N

Flash Point: 56 ºC
Safety Data
 

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