Benzeneheptanoic acid supplier

Name
7-PHENYLHEPTANOIC ACID
EINECS
CAS No. 40228-90-8
Article Data18
CAS DataBase
Density 1.034 g/cm³
Solubility Insoluble in water.
Melting Point 20 °C
Formula C₁₃H₁₈O₂
Boiling Point 356.5 °C at 760 mmHg
Molecular Weight 206.285
Flash Point 253.5 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/38
Molecular Structure
Hazard Symbols Xi
Synonyms Heptanoicacid, 7-phenyl- (6CI,7CI);7-Phenylheptanoic acid;
PSA 37.30000
LogP 3.26420

Benzeneheptanoic acid Specification

The CAS register number of Benzeneheptanoic acid is 40228-90-8. It also can be called as 7-Phenyl-heptanoic acid and the IUPAC name about this chemical is 7-phenylheptanoic acid. The molecular formula about this chemical is C₁₃H₁₈O₂ and the molecular weight is 206.28.

Physical properties about Benzeneheptanoic acid are: (1)ACD/LogP: 3.76; (2)ACD/LogD (pH 5.5): 2.96; (3)ACD/LogD (pH 7.4): 1.17; (4)ACD/BCF (pH 5.5): 67.29; (5)ACD/BCF (pH 7.4): 1.08; (6)ACD/KOC (pH 5.5): 418.97; (7)ACD/KOC (pH 7.4): 6.71; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 26.3Å²; (12)Index of Refraction: 1.519; (13)Molar Refractivity: 60.53 cm³; (14)Molar Volume: 199.4 cm³; (15)Polarizability: 23.99x10^-24cm³; (16)Surface Tension: 40.9 dyne/cm; (17)Enthalpy of Vaporization: 63.5 kJ/mol; (18)Boiling Point: 356.5 °C at 760 mmHg; (19)Vapour Pressure: 1.06E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCCc1ccccc1
(2)InChI: InChI=1/C13H18O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H,14,15)
(3)InChIKey: ZVSXKFNTWOIGJI-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C13H18O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H,14,15)
(5)Std. InChIKey: ZVSXKFNTWOIGJI-UHFFFAOYSA-N

Product Name

7-PHENYLHEPTANOIC ACID

Benzeneheptanoic acid Specification

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