Chemical Properties of Rhodopin (CAS 105-92-0)

InChI

InChI=1S/C40H58O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-17,19-21,23-30,41H,13,18,22,31-32H2,1-10H3/b12-11+,23-14+,24-15+,28-16+,29-17+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+

InChI Key

CNYVJTJLUKKCGM-RGGGOQHISA-N

Formula

C40H58O

SMILES

CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O

Molecular Weight¹

554.89

CAS

105-92-0

Other Names

• «psi»,«psi»-Carotene, 1,2-dihydro-1-hydroxy-
• Lycopene, 1,2-dihydro-1-hydroxy-
• Lycopene, 1,2-dihydro-1-hydroxy-, all-trans-
• Rhodopin, all-trans-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[698.10; 1734.23]	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			-2.20675e+02
Coefficient B			4.20310e+00
Coefficient C			-3.37610e-03
Coefficient D			1.12790e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	698.10	J/mol×K	273.00	Calculated Property
Cp,gas	893.68	J/mol×K	353.78	Calculated Property
Cp,gas	1060.82	J/mol×K	434.56	Calculated Property
Cp,gas	1203.10	J/mol×K	515.33	Calculated Property
Cp,gas	1324.07	J/mol×K	596.11	Calculated Property
Cp,gas	1427.30	J/mol×K	676.89	Calculated Property
Cp,gas	1516.37	J/mol×K	757.67	Calculated Property
Cp,gas	1594.83	J/mol×K	838.44	Calculated Property
Cp,gas	1666.26	J/mol×K	919.22	Calculated Property
Cp,gas	1734.23	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Rhodopin.

Sources

• Cheméo Relay (1.0)
• 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
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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