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Name |
3,3''-Dimethyl-1,1':4',1''-terphenyl |
EINECS | N/A |
CAS No. | 97295-31-3 | Density | 1.022 g/cm3 |
PSA | 0.00000 | LogP | 5.63740 |
Solubility | N/A | Melting Point |
255-257℃ |
Formula | C20H18 | Boiling Point | 412.5 °C at 760 mmHg |
Molecular Weight | 258.363 | Flash Point | 197.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3,3’’-Dimethyl-p-terphenyl; |
Article Data | 5 |
The 1,1':4',1''-Terphenyl, 4,4''-dimethyl- with CAS registry number of 97295-31-3 is also known as 3,3’’-Dimethyl-p-terphenyl. The systematic name is 3,3''-Dimethyl-1,1':4',1''-terphenyl. In addition, the formula is C20H18 and the molecular weight is 258.36.
Physical properties about 1,1':4',1''-Terphenyl, 4,4''-dimethyl- are: (1)ACD/LogP: 6.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.55; (4)ACD/LogD (pH 7.4): 6.55; (5)ACD/BCF (pH 5.5): 56294.05; (6)ACD/BCF (pH 7.4): 56294.05; (7)ACD/KOC (pH 5.5): 87490.87; (8)ACD/KOC (pH 7.4): 87490.87; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.588; (11)Molar Refractivity: 85.08 cm3; (12)Molar Volume: 252.5 cm3; (13)Surface Tension: 38.5 dyne/cm; (14)Density: 1.022 g/cm3; (15)Flash Point: 197.7 °C; (16)Enthalpy of Vaporization: 63.93 kJ/mol; (17)Boiling Point: 412.5 °C at 760 mmHg; (18)Vapour Pressure: 1.23E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: Cc1cccc(c1)c2ccc(cc2)c3cccc(C)c3
2. InChI: InChI=1/C20H18/c1-15-5-3-7-19(13-15)17-9-11-18(12-10-17)20-8-4-6-16(2)14-20/h3-14H,1-2H3
3. InChIKey: ISCJSNCUQHCZAY-UHFFFAOYAR
4. Std. InChI: InChI=1S/C20H18/c1-15-5-3-7-19(13-15)17-9-11-18(12-10-17)20-8-4-6-16(2)14-20/h3-14H,1-2H3
5. Std. InChIKey: ISCJSNCUQHCZAY-UHFFFAOYSA-N