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CAS No.: | 27741-65-7 |
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Name: | ACETIC ACID, 2-CYCLOBUTYLIDENE-, ETHYL ESTER |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C8H12O2 |
Molecular Weight: | 140.182 |
Synonyms: | Aceticacid, cyclobutylidene-, ethyl ester (9CI);D1,a-Cyclobutaneaceticacid, ethyl ester (7CI,8CI);Carbethoxymethylenecyclobutane;Ethyl cyclobutylideneacetate;Ethyl 2-cyclobutylideneacetate; |
Density: | 1.124 g/cm3 |
Melting Point: | 21℃ |
Boiling Point: | 191.2 °C at 760 mmHg |
Flash Point: | 87.6 °C |
PSA: | 26.30000 |
LogP: | 1.65980 |
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The Aceticacid, 2-cyclobutylidene-, ethyl ester with CAS registry number of 27741-65-7 is also known as Aceticacid, cyclobutylidene-, ethyl ester (9CI). The systematic name is Ethyl cyclobutylideneacetate. In addition, the formula is C8H12O2 and the molecular weight is 140.18.
Physical properties about Aceticacid, 2-cyclobutylidene-, ethyl ester are: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 36.57; (6)ACD/BCF (pH 7.4): 36.57; (7)ACD/KOC (pH 5.5): 457.58; (8)ACD/KOC (pH 7.4): 457.58; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 40.36 cm3; (15)Molar Volume: 124.6 cm3; (16)Polarizability: 16×10-24cm3; (17)Surface Tension: 49.1 dyne/cm; (18)Density: 1.124 g/cm3; (19)Flash Point: 87.6 °C; (20)Enthalpy of Vaporization: 42.74 kJ/mol; (21)Boiling Point: 191.2 °C at 760 mmHg; (22)Vapour Pressure: 0.52 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: O=C(OCC)\C=C1/CCC1
2. InChI: InChI=1/C8H12O2/c1-2-10-8(9)6-7-4-3-5-7/h6H,2-5H2,1H3
3. InChIKey: FGCGWHVDPBOFJE-UHFFFAOYAX
4. Std. InChI: InChI=1S/C8H12O2/c1-2-10-8(9)6-7-4-3-5-7/h6H,2-5H2,1H3
5. Std. InChIKey: FGCGWHVDPBOFJE-UHFFFAOYSA-N