- 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-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 1033.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 355.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.36 | kJ/mol | Joback Calculated Property |
| IE | 6.50 | eV | NIST |
| log10WS | -14.26 | Crippen Calculated Property | |
| logPoct/wat | 12.606 | Crippen Calculated Property | |
| McVol | 505.440 | ml/mol | McGowan Calculated Property |
| Pc | 607.26 | kPa | Joback Calculated Property |
| Tboil | 1209.38 | K | Joback Calculated Property |
| Tc | 1480.86 | K | Joback Calculated Property |
| Tfus | 553.16 | K | Joback Calculated Property |
| Vc | 1.933 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1963.97; 2467.42] | J/mol×K | [1209.38; 1480.86] | 
|
| Cp,gas | 1963.97 | J/mol×K | 1209.38 | Joback Calculated Property |
| Cp,gas | 2029.84 | J/mol×K | 1254.63 | Joback Calculated Property |
| Cp,gas | 2101.86 | J/mol×K | 1299.87 | Joback Calculated Property |
| Cp,gas | 2180.85 | J/mol×K | 1345.12 | Joback Calculated Property |
| Cp,gas | 2267.57 | J/mol×K | 1390.37 | Joback Calculated Property |
| Cp,gas | 2362.84 | J/mol×K | 1435.61 | Joback Calculated Property |
| Cp,gas | 2467.42 | J/mol×K | 1480.86 | Joback Calculated Property |
| ΔfusH | 56.00 | kJ/mol | 456.00 | NIST |
Similar Compounds
Find more compounds similar to «beta» Carotene.
Mixtures
- 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
- 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
- Toluene + Propane, 2-methoxy-2-methyl- + «beta» Carotene
- Butane, 2-methoxy-2-methyl- + Cyclohexane + «beta» Carotene
- n-Hexane + Butane, 2-methoxy-2-methyl- + «beta» Carotene
- Toluene + Butane, 2-methoxy-2-methyl- + «beta» Carotene
- Ethane, 1,1'-oxybis[2-methoxy- + Cyclohexane + «beta» Carotene
Find more mixtures with «beta» Carotene.
Sources
- 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.