Chemical Properties of «beta» Carotene (CAS 7235-40-7)

InChI

InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+

InChI Key

OENHQHLEOONYIE-JLTXGRSLSA-N

Formula

C40H56

SMILES

CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C

Molecular Weight¹

536.87

CAS

7235-40-7

Other Names

• (1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-1,18-bis(2,6,6-trimethyl-1-cyclohexene)
• (all-E)-1,1'-(3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis(2,6,6-trimethylcyclohexene)
• .beta.-carotene
• 1,1'-(3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis(2,6,6-trimethylcyclohexene), (all E)-
• BetaVit
• Betacarotene
• C.I. 75130
• C.I. Food Orange 5
• Carotaben
• Carotene, «beta»
• Cyclohexene, 1,1'-(3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis[2,6,6-trimethyl-, (all-E)-
• Food Orange 5
• KPMK
• Karotin
• Lucaratin
• NSC 62794
• Natural yellow 26
• Provatene
• Provitamin A
• Serlabo
• Solatene
• Zlut prirodni 26
• all-E-«beta»-Carotene
• all-trans-«beta»-Carotene
• beta,beta-Carotene
• trans-«beta»-Carotene
• «beta»,«beta»-Carotene
• «beta»-Carotene, all-trans-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[641.77; 1716.69]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.18310e+02
Coefficient B			4.46160e+00
Coefficient C			-3.84920e-03
Coefficient D			1.42260e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	641.77	J/mol×K	273.00	Calculated Property
Cp,gas	841.33	J/mol×K	353.78	Calculated Property
Cp,gas	1010.37	J/mol×K	434.56	Calculated Property
Cp,gas	1153.37	J/mol×K	515.33	Calculated Property
Cp,gas	1274.84	J/mol×K	596.11	Calculated Property
Cp,gas	1379.28	J/mol×K	676.89	Calculated Property
Cp,gas	1471.18	J/mol×K	757.67	Calculated Property
Cp,gas	1555.05	J/mol×K	838.44	Calculated Property
Cp,gas	1635.39	J/mol×K	919.22	Calculated Property
Cp,gas	1716.69	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to «beta» Carotene.

Mixtures

• Carbon dioxide + «beta» Carotene
• Carbon dioxide + Ethanol + «beta» Carotene
• Triolein + Carbon dioxide + «beta» Carotene
• Ethane, 1,2-dimethoxy- + «beta» Carotene
• Cyclohexane + «beta» Carotene
• n-Hexane + «beta» Carotene
• Toluene + «beta» Carotene
• n-Butyl ether + «beta» Carotene
• Ethane, 1,2-dimethoxy- + Cyclohexane + «beta» Carotene
• n-Hexane + Ethane, 1,2-dimethoxy- + «beta» Carotene
• Toluene + Ethane, 1,2-dimethoxy- + «beta» Carotene
• n-Butyl ether + Cyclohexane + «beta» Carotene
• n-Hexane + n-Butyl ether + «beta» Carotene
• Toluene + n-Butyl ether + «beta» Carotene
• Carbon dioxide + Ethyl Acetate + «beta» Carotene
• Propane + «beta» Carotene
• Propane, 2-methoxy-2-methyl- + «beta» Carotene
• Butane, 2-methoxy-2-methyl- + «beta» Carotene
• Propane, 2-methoxy-2-methyl- + Cyclohexane + «beta» Carotene
• n-Hexane + Propane, 2-methoxy-2-methyl- + «beta» Carotene

Find more mixtures with «beta» Carotene.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Solubility of b-carotene in ethanol- and triolein-modified CO2
• Solubility of -Carotene in Binary Solvents Formed by Some Hydrocarbons with Dibutyl Ether and 1,2-Dimethoxyethane
• Solubility of a-Carotene in Binary Solvents Formed by Some Hydrocarbons with tert-Butyl Methyl Ether and with tert-Amyl Methyl Ether
• Solubility of a-Carotene in Binary Solvents Formed by Some Hydrocarbons with 2,5,8-Trioxanonane, 2-Propanone, and Cyclohexanone
• Solubilities and Adsorption Equilibria of beta-Carotene in Supercritical and Near-Critical Fluids
• Solubility of .beta.-Carotene and Glyceryl Trioleate Mixture in Supercritical CO2
• High-Pressure Vapor-Liquid Equilibrium Data for Systems Involving Carbon Dioxide + Organic Solvent + a-Carotene
• Densities of a-Carotene-Supercritical Carbon Dioxide Mixtures
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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