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64583-94-4

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Basic Information
CAS No.: 64583-94-4
Name: 2-Butylcyclopropanecarboxylic acid methyl ester
Article Data: 1
Molecular Structure:
Molecular Structure of 64583-94-4 (2-Butylcyclopropanecarboxylic acid methyl ester)
Formula: C9H16O2
Molecular Weight: 156.225
Synonyms: methyl-2-butylcyclopropane-1-carboxylate;1-Carboxymethyl-2-butylcyclopropan;Methyl-1-butylcyclopropancarboxylat;2-n-Buthylcyclopropancarboxylic acid,methyl ester;1-Butyl-2-methoxycarbonylcyclopropan;2-BUTYLCYCLOPROPANECARBOXYLIC ACID METHYL ESTER;methyl 2-butylcyclopropanecarboxylate;
Density: 0.967g/cm3
Boiling Point: 190.2 °C at 760 mmHg
Flash Point: 65.5 °C
PSA: 26.30000
LogP: 1.98570
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Specification

The 2-Butylcyclopropanecarboxylic acid methyl ester, with CAS registry number 64583-94-4, has the systematic name of methyl 2-butylcyclopropanecarboxylate. And the chemical formula of this chemical is C9H16O2.

Physical properties of 2-Butylcyclopropanecarboxylic acid methyl ester: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/LogD (pH 7.4): 2.63; (5)ACD/BCF (pH 5.5): 58.71; (6)ACD/BCF (pH 7.4): 58.71; (7)ACD/KOC (pH 5.5): 642.16; (8)ACD/KOC (pH 7.4): 642.16; (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: 1.449; (14)Molar Refractivity: 43.37 cm3; (15)Molar Volume: 161.4 cm3; (16)Polarizability: 17.19×10-24cm3; (17)Surface Tension: 31.4 dyne/cm; (18)Enthalpy of Vaporization: 42.64 kJ/mol; (19)Vapour Pressure: 0.549 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C1CC1CCCC
(2)InChI: InChI=1/C9H16O2/c1-3-4-5-7-6-8(7)9(10)11-2/h7-8H,3-6H2,1-2H3
(3)InChIKey: LMLAOWLMYPQPKR-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C9H16O2/c1-3-4-5-7-6-8(7)9(10)11-2/h7-8H,3-6H2,1-2H3
(5)Std. InChIKey: LMLAOWLMYPQPKR-UHFFFAOYSA-N