Chemical Properties of Lycopene (CAS 502-65-8)

InChI

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

InChI Key

OAIJSZIZWZSQBC-GYZMGTAESA-N

Formula

C40H56

SMILES

CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C

Molecular Weight¹

536.87

CAS

502-65-8

Other Names

• (all-E)-2,6,10,14,19,23,27,31-Octamethyl-2,6,8,10,12,14,16,18,20,22,24,26,30-dotriacontatridecaene
• .psi.,.psi.-carotene
• 2,6,8,10,12,14,16,18,20,22,24,26,30-Dotriacontatridecaene, 2,6,10,14,19,23,27,31-octamethyl-, (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-
• 2,6,8,10,12,14,16,18,20,22,24,26,30-Dotriacontatridecaene, 2,6,10,14,19,23,27,31-octamethyl-, (all-E)-
• C.I. 75125
• Lycopene 7
• Lycopene, all-trans-
• NSC 407322
• all-trans-lycopene
• psi,psi-Carotene
• trans-lycopene
• «psi»,«psi»-Carotene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• 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, 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	[673.21; 1683.23]	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			-2.15366e+02
Coefficient B			4.06320e+00
Coefficient C			-3.26000e-03
Coefficient D			1.09540e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	673.21	J/mol×K	273.00	Calculated Property
Cp,gas	862.59	J/mol×K	353.78	Calculated Property
Cp,gas	1024.60	J/mol×K	434.56	Calculated Property
Cp,gas	1162.70	J/mol×K	515.33	Calculated Property
Cp,gas	1280.35	J/mol×K	596.11	Calculated Property
Cp,gas	1381.03	J/mol×K	676.89	Calculated Property
Cp,gas	1468.19	J/mol×K	757.67	Calculated Property
Cp,gas	1545.30	J/mol×K	838.44	Calculated Property
Cp,gas	1615.83	J/mol×K	919.22	Calculated Property
Cp,gas	1683.23	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Lycopene.

Mixtures

• Carbon dioxide + Lycopene

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
• Solubility of carotenoid pigments (lycopene and astaxanthin) in supercritical carbon dioxide
• 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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