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Basic Information |
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Cas Database |
Name |
Carbonic acid,bis(3-methylphenyl) ester |
EINECS | N/A |
CAS No. | 620-52-0 | Density | 1.145 g/cm3 |
PSA | 35.53000 | LogP | 3.88120 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H14O3 | Boiling Point | 346.6 °C at 760 mmHg |
Molecular Weight | 242.274 | Flash Point | 128.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure |
|
Hazard Symbols | N/A |
Synonyms |
Di-m-Tolyl carbonate; |
Article Data | 7 |
The Carbonic acid,bis(3-methylphenyl) ester with the CAS registry number 620-52-0, is also known as Di-m-Tolyl carbonate. This chemical's molecular formula is C15H14O3 and molecular weight is 242.27. What's more, its systematic name is bis(3-methylphenyl) carbonate.
Physical properties of Carbonic acid,bis(3-methylphenyl) ester are: (1)ACD/LogP: 4.20; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.564; (8)Molar Refractivity: 68.86 cm3; (9)Molar Volume: 211.4 cm3; (10)Polarizability: 27.29×10-24cm3; (11)Surface Tension: 41.3 dyne/cm; (12)Density: 1.145 g/cm3; (13)Flash Point: 128.2 °C; (14)Enthalpy of Vaporization: 59.08 kJ/mol; (15)Boiling Point: 346.6 °C at 760 mmHg; (16)Vapour Pressure: 5.7E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1cc(ccc1)C)Oc2cc(ccc2)C
(2)Std. InChI: InChI=1S/C15H14O3/c1-11-5-3-7-13(9-11)17-15(16)18-14-8-4-6-12(2)10-14/h3-10H,1-2H3
(3)Std. InChIKey: PDYNXWPJDVOHDW-UHFFFAOYSA-N