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15840-95-6

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Basic Information
CAS No.: 15840-95-6
Name: cyclohexylmethyl isovalerate
Molecular Structure:
Molecular Structure of 15840-95-6 (cyclohexylmethyl isovalerate)
Formula: C12H22O2
Molecular Weight: 198.30188
Synonyms: Cyclohexylmethyl isovalerate;
EINECS: 239-944-5
Density: 0.927 g/cm3
Boiling Point: 237.9 °C at 760 mmHg
Flash Point: 95 °C
PSA: 26.30000
LogP: 3.15600
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Specification

The Cyclohexylmethyl 3-methylbutanoate is an organic compound with the formula C12H22O2. The IUPAC name of this chemical is Cyclohexylmethyl 3-methylbutanoate. With the CAS registry number 15840-95-6, it is also named as Butanoic acid, 3-methyl-, cyclohexylmethyl ester. Besides, its molecular weight is 198.30188.

Physical properties about Cyclohexylmethyl 3-methylbutanoate are: (1)ACD/LogP: 4.18; (2)ACD/LogD (pH 5.5): 4.18; (3)ACD/LogD (pH 7.4): 4.18; (4)ACD/BCF (pH 5.5): 881.65; (5)ACD/BCF (pH 7.4): 881.65; (6)ACD/KOC (pH 5.5): 4465.24; (7)ACD/KOC (pH 7.4): 4465.24; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.447; (12)Molar Refractivity: 57.26 cm3; (13)Molar Volume: 213.9 cm3; (14)Polarizability: 22.7×10-24 cm3; (15)Surface Tension: 31.2 dyne/cm; (16)Density: 0.927 g/cm3; (17)Flash Point: 95 °C; (18)Enthalpy of Vaporization: 47.48 kJ/mol; (19)Boiling Point: 237.9 °C at 760 mmHg; (20)Vapour Pressure: 0.0436 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C12H22O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
(2)InChIKey: OPKFCIJVNFYFCT-UHFFFAOYAZ
(3)Std. InChI: InChI=1S/C12H22O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
(4)Std. InChIKey: OPKFCIJVNFYFCT-UHFFFAOYSA-N