Chemical Properties of 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-, (2R)- (CAS 14101-61-2)

InChI

InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m0/s1

InChI Key

OTXNTMVVOOBZCV-UXRPBPJUSA-N

Formula

C28H42O2

SMILES

CC(C)=CCCC(C)=CCCC(C)=CCCC1(C)CCc2cc(O)c(C)c(C)c2O1

Molecular Weight¹

410.63

CAS

14101-61-2

Other Names

• Gamma-Tocotrienol
• (R)-2,7,8-Trimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)chroman-6-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	285.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-324.27	kJ/mol	Joback Calculated Property
ΔfusH°	61.32	kJ/mol	Joback Calculated Property
ΔvapH°	98.76	kJ/mol	Joback Calculated Property
log10WS	-9.58		Crippen Calculated Property
logPoct/wat	8.292		Crippen Calculated Property
McVol	369.600	ml/mol	McGowan Calculated Property
Pc	1034.57	kPa	Joback Calculated Property
Inp	[3170.90; 3170.90]
Inp	3170.90		NIST
Inp	3170.90		NIST
Tboil	1012.60	K	Joback Calculated Property
Tc	1244.99	K	Joback Calculated Property
Tfus	588.79	K	Joback Calculated Property
Vc	1.373	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1283.49; 1474.89]	J/mol×K	[1012.60; 1244.99]
Cp,gas	1283.49	J/mol×K	1012.60	Joback Calculated Property
Cp,gas	1311.78	J/mol×K	1051.33	Joback Calculated Property
Cp,gas	1341.08	J/mol×K	1090.06	Joback Calculated Property
Cp,gas	1371.73	J/mol×K	1128.80	Joback Calculated Property
Cp,gas	1404.03	J/mol×K	1167.53	Joback Calculated Property
Cp,gas	1438.31	J/mol×K	1206.26	Joback Calculated Property
Cp,gas	1474.89	J/mol×K	1244.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-, (2R)-.

Sources

• 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.