Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Phenanthrenecarboxylic acid ethyl ester |
EINECS | N/A |
CAS No. | 94540-85-9 | Density | 1.180g/cm3 |
PSA | 26.30000 | LogP | 4.16970 |
Solubility | N/A | Melting Point |
N/A |
Formula | C17H14O2 | Boiling Point | 416.1 °C at 760 mmHg |
Molecular Weight | 250.297 | Flash Point | 194.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
LogP |
Article Data | 2 |
The 2-Phenanthrenecarboxylic acid ethyl ester, with CAS registry number 94540-85-9, has the systematic name of ethyl phenanthrene-2-carboxylate. And the chemical formula of this chemical is C17H14O2. Its molecular weight is 250.29.
Physical properties of 2-Phenanthrenecarboxylic acid ethyl ester: (1)ACD/LogP: 5.19; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.19; (4)ACD/LogD (pH 7.4): 5.19; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 26.3 Å2; (9)Index of Refraction: 1.66; (10)Molar Refractivity: 78.34 cm3; (11)Molar Volume: 212 cm3; (12)Polarizability: 31.05×10-24cm3; (13)Surface Tension: 48.4 dyne/cm; (14)Enthalpy of Vaporization: 66.93 kJ/mol; (15)Vapour Pressure: 3.92E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1ccc2c(c1)ccc3c2cccc3
(2)InChI: InChI=1/C17H14O2/c1-2-19-17(18)14-9-10-16-13(11-14)8-7-12-5-3-4-6-15(12)16/h3-11H,2H2,1H3
(3)InChIKey: SPDSVQDCEDNGGL-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C17H14O2/c1-2-19-17(18)14-9-10-16-13(11-14)8-7-12-5-3-4-6-15(12)16/h3-11H,2H2,1H3
(5)Std. InChIKey: SPDSVQDCEDNGGL-UHFFFAOYSA-N