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| CAS No.: | 463-79-6 |
|---|---|
| Name: | Carbonic acid |
| Article Data: | 401 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | CH2O3 |
| Molecular Weight: | 62.0251 |
| Synonyms: | NSC 81688; |
| Density: | 1.668 g/cm3 |
| Melting Point: | 211-212 °C(Solv: water (7732-18-5)) |
| Boiling Point: | 333.6 °C at 760 mmHg |
| Flash Point: | 169.8 °C |
| Appearance: | colourless aqueous solution |
| PSA: | 57.53000 |
| LogP: | 0.22240 |
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Specification
The IUPAC name of this chemical is carbonic acid. With the CAS registry number 463-79-6, it is also named as Carbonic acid hydrogen. It is colourless aqueous solution which is hypothetical acid of carbon dioxide and water. It exists only in the form of its salts (carbonates), acid salts (hydrogen carbonates), amines (carbamic acid), and acid chlorides (carbonyl chloride). When dissolved in water, carbon dioxide exists in equilibrium with carbonic acid: CO2 + H2O⇔ H2CO3. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.98; (4)ACD/LogD (pH 7.4): -3.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.439; (13)Molar Refractivity: 9.78 cm3; (14)Molar Volume: 37.1 cm3; (15)Polarizability: 3.87×10-24 cm3; (16)Surface Tension: 77.9 dyne/cm; (17)Enthalpy of Vaporization: 63.37 kJ/mol; (18)Vapour Pressure: 2.58E-05 mmHg at 25°C; (19)Exact Mass: 62.000394; (20)MonoIsotopic Mass: 62.000394; (21)Topological Polar Surface Area: 57.5; (22)Heavy Atom Count: 4; (23)Complexity: 26.3.
Uses of Carbonic acid: It is used in the making of soft drinks, inexpensive and artificially carbonated sparkling wines, and other bubbly drinks. It is also an intermediate step in the transport of CO2 out of the body via respiratory gas exchange.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)O
2. InChI:InChI=1/CH2O3/c2-1(3)4/h(H2,2,3,4)
3. InChIKey:BVKZGUZCCUSVTD-UHFFFAOYAU
4. Std. InChI:InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)
5. Std. InChIKey:BVKZGUZCCUSVTD-UHFFFAOYSA-N