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| CAS No.: | 87-55-8 |
|---|---|
| Name: | 2-Methyl-5-oxocyclopent-1-enyl propionate |
| Molecular Structure: | |
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| Formula: | C9H12O3 |
| Molecular Weight: | 168.19 |
| Synonyms: | 2-Cyclopenten-1-one,2-hydroxy-3-methyl-, propionate (8CI); |
| EINECS: | 201-751-9 |
| Density: | 1.1 g/cm3 |
| Melting Point: | 36 °C |
| Boiling Point: | 291.6 °C at 760 mmHg |
| Flash Point: | 127.6 °C |
| PSA: | 43.37000 |
| LogP: | 1.57650 |
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- Total:32 Page 1 of 1 1
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Specification
The CAS register number of 2-Methyl-5-oxocyclopent-1-enyl propionate is 87-55-8. It also can be called as 2-Cyclopenten-1-one,3-methyl-2-(1-oxopropoxy)- and the IUPAC name about this chemical is (2-methyl-5-oxocyclopenten-1-yl) propanoate. The molecular formula about this chemical is C9H12O3 and the molecular weight is 168.19.
Physical properties about 2-Methyl-5-oxocyclopent-1-enyl propionate are: (1)ACD/LogP: 1.30; (2)ACD/LogD (pH 5.5): 1.3; (3)ACD/LogD (pH 7.4): 1.3; (4)ACD/BCF (pH 5.5): 5.72; (5)ACD/BCF (pH 7.4): 5.72; (6)ACD/KOC (pH 5.5): 121.3; (7)ACD/KOC (pH 7.4): 121.3; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 43.37Å2; (11)Index of Refraction: 1.477; (12)Molar Refractivity: 43.09 cm3; (13)Molar Volume: 152.3 cm3; (14)Polarizability: 17.08x10-24cm3; (15)Surface Tension: 35.4 dyne/cm; (16)Enthalpy of Vaporization: 53.1 kJ/mol; (17)Boiling Point: 291.6 °C at 760 mmHg; (18)Vapour Pressure: 0.00193 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O/C1=C(/CCC1=O)C)CC
(2)InChI: InChI=1/C9H12O3/c1-3-8(11)12-9-6(2)4-5-7(9)10/h3-5H2,1-2H3
(3)InChIKey: NKRMCRMCMGRKHS-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H12O3/c1-3-8(11)12-9-6(2)4-5-7(9)10/h3-5H2,1-2H3
(5)Std. InChIKey: NKRMCRMCMGRKHS-UHFFFAOYSA-N