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236391-76-7

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Basic Information
CAS No.: 236391-76-7
Name: Aceticacid,(1-oxopropoxy)-,1-(3,3-dimethylcyclohexyl)ethyl
Molecular Structure:
Molecular Structure of 236391-76-7 (Aceticacid,(1-oxopropoxy)-,1-(3,3-dimethylcyclohexyl)ethyl)
Formula: C15H26O4
Molecular Weight: 270.369
Synonyms: Aceticacid, (1-oxopropoxy)-, 1-(3,3-dimethylcyclohexyl)ethyl ester (9CI);
Density: 1.001 g/cm3
Boiling Point: 334.872 °C at 760 mmHg
Flash Point: 155.676 °C
PSA: 52.60000
LogP: 3.08770
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Specification

The Acetic acid,2-(1-oxopropoxy)-, 1-(3,3-dimethylcyclohexyl)ethyl ester is an organic compound with the formula C15H26O4. With the CAS registry number 236391-76-7, the systematic name of this chemical is 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-oxoethyl propanoate.

Physical properties about Acetic acid,2-(1-oxopropoxy)-, 1-(3,3-dimethylcyclohexyl)ethyl ester are: (1)ACD/LogP: 4.28; (2)ACD/LogD (pH 5.5): 5; (3)ACD/LogD (pH 7.4): 5; (4)ACD/BCF (pH 5.5): 2527; (5)ACD/BCF (pH 7.4): 2527; (6)ACD/KOC (pH 5.5): 9488; (7)ACD/KOC (pH 7.4): 9488; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 52.6 Å2; (11)Index of Refraction: 1.453; (12)Molar Refractivity: 72.938 cm3; (13)Molar Volume: 269.969 cm3; (14)Polarizability: 28.915×10-24cm3; (15)Surface Tension: 32.492 dyne/cm; (16)Density: 1.001 g/cm3; (17)Flash Point: 155.676 °C; (18)Enthalpy of Vaporization: 57.787 kJ/mol; (19)Boiling Point: 334.872 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C)CCCC(C1)C(C)OC(=O)COC(=O)CC
(2)InChI: InChI=1/C15H26O4/c1-5-13(16)18-10-14(17)19-11(2)12-7-6-8-15(3,4)9-12/h11-12H,5-10H2,1-4H3
(3)InChIKey: PDUFSBFWOJELLV-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C15H26O4/c1-5-13(16)18-10-14(17)19-11(2)12-7-6-8-15(3,4)9-12/h11-12H,5-10H2,1-4H3
(5)Std. InChIKey: PDUFSBFWOJELLV-UHFFFAOYSA-N