Constituent C6H6 crystalline ice | SSHADE

Constituent

Name: C6H6 crystalline ice
Official name: solid Benzene

Family: molecular solid
Class: non polar molecular solid
Compound type: organic molecular solid

Constituent abundance in material

Relevance: main - major
Arrangement: single phase
Mass fraction: 1.0
Mole fraction: 1.0

Chemical composition

Formula: $C_6H_6$
Chemical formula: C6H6
Elemental formula: C6 H6
Isotope mixture type: terrestrial abundance

	Formula	Name	Family	Number min-max	Mole fraction	Isotope mole fraction	State	Relevance
	$C_6H_6$	Benzene	molecule	1	0.9997500624843788	1.0	pure	main
	$H_2O$	Water	molecule	0 - 0.0005	0.0002499375156210947 $\pm$ 0.0002499375156210947	1.0	unknown	impurity

Composition comments: possible impurities in the C6H6 liquid bottle: H2O (<0.0005), S compounds < 50 ppm, residue < 10 ppm

Chemical functions and bonds

Chemical functions

	Function	Number	Relevance
	$R=CH-R$	6	main
	$R-OH$	2	impurity

Chemical bonds

	Bond	Number	Relevance
	$\eqslantgtr C-H$	6	main
	$\eqslantgtr C-C\eqslantless$	3	main
	$>C=C<$	3	main
	$-O-H$	2	impurity

Class: molecular solids with apolar molecules (01)
Type: with polyatomic organic apolar molecules (CnHm...) (01.06)

Phase name: solid Benzene
Phase type: crystalline

Crystallography

Crystal system: orthorhombic
Crystal class: dipyramidal
Crystal class symbol: mmm (D2h)
Crystal spacegroup: Pbca
Comments: only crystal structure known for solid C6H6 at low pressure, amorphous below 30-60 K

Texture: polycrystalline

Physical properties

Molar mass: 78.1118 $g/mol$

Optical properties

Refringence type: biaxial
Refraction index $n_{\alpha}$: 1.544 (100 K), 1.66 (th.)
Refraction index $n_{\beta}$: 1.646
Refraction index $n_{\gamma}$: 1.550
Color: colorless
Diaphaneity: transparent
Luster: vitreous