phenol


phenol
Links:🌍 Wikipedia, 📏 NIST, ⚗️ ChemSynthesis, 📖 PubMed,
📖Houben-Weyl, 2. Band (Phenol); p. 140, 347, 395, 399, 410, 423, 583, 587, 607, 667, 672, 686, 716, 725, 905, 984, 552652,
MeSH:Anti-Infective Agents; Disinfectants; Pharmaceutical Solutions; Sclerosing Solutions
CAS RN:[108-95-2]
Formula:C6H6O; 94.11 g/mol
InChiKey:ISWSIDIOOBJBQZ-UHFFFAOYSA-N
SMILES:Oc1ccccc1
Molecular structure of phenol
Retetion Index:986 (PE5MS)
Toxicology (LD50):81.0 mg/Kg (cat, sc); 300 mg/Kg(frog, sc); 300 mg/Kg(guinea~pig, ip); 500 mg/Kg(guinea~pig, sc); 125 mg/Kg(mouse, sc); 435 mg/Kg(mouse, sc); 180 mg/Kg(rabbit, iv); 520 mg/Kg(rabbit, or); 620 mg/Kg(rabbit, sc); 530 mg/Kg(rat, or); 1 300 mg/Kg(rat, or); 217 mg/Kg(rat, sc); 550 mg/Kg(rat, sc)
Density:1.058 g/mL
Molar volume:89.0 mL/mol
Refractive index:1.542
Molecular refractive power:28.00 mL/mol
Dielectric constant:10.00
Dipole moment:1.55 D
Melting point:43 °C
Boiling point:181 °C
Vapour pressure:1 Torr
Antoine equation
P(Torr) vs T(°C)
Vapour pressure vs temperature
Surface tension:36.50 dyn/cm
Viscosity:4.30 cP
Critical temperature:421 °C
Critical pressure:60.5 atm
Solubility in water:8 % w/w
Solubility of water:29 % w/w
Log10 partition water / activated carbon:4.00
Log10 partition octanol / water:1.47
Dimroth ET:53.4
Hildebrant solubility parameter (δ):11.3
Hansen solubility parameter:δd: 8.8 (cal/mL)^0.5   δp: 2.9 (cal/mL)^0.5   δh: 7.3 (cal/mL)^0.5
100g dissolves:
27.9g water;    14.9g 2-methylbutane
1g dissolves in:
6.54g octane;    11.05g water;    12.00g benzene;    21.28g 2-methylbutane
Specific heat capacity:52.0 cal/molK
Latent heat of fusion:2,750 cal/mol

Isomers

2-ethenylfuran
Molecular structure of 2-ethenylfuran
oxepine
Molecular structure of oxepine
phenol
Molecular structure of phenol
propargyl ether
Molecular structure of propargyl ether