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| CAS No.: | 202798-06-9 |
|---|---|
| Name: | 4-PENT-1-ENYL-BENZOIC ACID |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C12H14O2 |
| Molecular Weight: | 190.242 |
| Synonyms: | 4-Pent-1-enyl-benzoic acid;benzoic acid, 4-(1-penten-1-yl)-; |
| Density: | 1.081 g/cm3 |
| Boiling Point: | 335.019 °C at 760 mmHg |
| Flash Point: | 156.662 °C |
| PSA: | 37.30000 |
| LogP: | 3.19810 |
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Specification
The 4-Pent-1-enylbenzoic acid with the CAS number 202798-06-9 is also called benzoic acid, 4-(1-penten-1-yl)-. Its molecular formula is C12H14O2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 4-Pent-1-enylbenzoic acid are: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.482; (4)ACD/LogD (pH 7.4): 0.882; (5)ACD/BCF (pH 5.5): 23.007; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 147.237; (8)ACD/KOC (pH 7.4): 3.698; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 37.3Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 58.338 cm3; (15)Molar Volume: 175.952 cm3; (16)Polarizability: 23.127×10-24cm3; (17)Surface Tension: 43.521 dyne/cm; (18)Enthalpy of Vaporization: 61.012 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCC=Cc1ccc(cc1)C(=O)O
(2)InChI: InChI=1/C12H14O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h4-9H,2-3H2,1H3,(H,13,14)
(3)InChIKey: WPYZZVKPJHDAOE-UHFFFAOYAN