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34495-71-1

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Basic Information
CAS No.: 34495-71-1
Name: ethyl (Z)-oct-4-enoate
Article Data: 4
Molecular Structure:
Molecular Structure of 34495-71-1 (ethyl (Z)-oct-4-enoate)
Formula: C10H18O2
Molecular Weight: 170.252
Synonyms: 4-Octenoic acid, ethyl ester, (Z)-;Ethyl (4Z)-oct-4-enoate;Ethyl cis-4-octenoate;
EINECS: 252-065-1
Density: 0.892 g/cm3
Boiling Point: 195.9 °C at 760 mmHg
Flash Point: 63.6 °C
PSA: 26.30000
LogP: 2.68600
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Specification

The 4-Octenoic acid, ethyl ester, (4Z)-, with the CAS registry number 34495-71-1, is also known as Ethyl cis-4-octenoate. Its EINECS number is 252-065-1. This chemical's molecular formula is C10H18O2 and molecular weight is 170.25. What's more, its systematic name is ethyl (4Z)-oct-4-enoate.

Physical properties of 4-Octenoic acid, ethyl ester, (4Z)- are: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.57; (4)ACD/LogD (pH 7.4): 3.57; (5)ACD/BCF (pH 5.5): 304.58; (6)ACD/BCF (pH 7.4): 304.58; (7)ACD/KOC (pH 5.5): 2086.62; (8)ACD/KOC (pH 7.4): 2086.62; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 50.21 cm3; (15)Molar Volume: 190.6 cm3; (16)Polarizability: 19.9×10-24cm3; (17)Surface Tension: 28.8 dyne/cm; (18)Density: 0.892 g/cm3; (19)Flash Point: 63.6 °C; (20)Enthalpy of Vaporization: 43.2 kJ/mol; (21)Boiling Point: 195.9 °C at 760 mmHg; (22)Vapour Pressure: 0.411 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CC\C=C/CCC
(2)Std. InChI: InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6-
(3)Std. InChIKey: WRUZCQAJIHSQPL-SREVYHEPSA-N