Chemical Properties of (R)-6-Methoxy-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman (CAS 32466-45-8)

InChI

InChI=1S/C30H52O2/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-30(8)20-18-27-26(7)28(31-9)24(5)25(6)29(27)32-30/h21-23H,10-20H2,1-9H3/t22-,23-,30-/m0/s1

InChI Key

SCLDYIHKBCFVTE-ZRLASMASSA-N

Formula

C30H52O2

SMILES

COc1c(C)c(C)c2c(c1C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2

Molecular Weight¹

444.73

CAS

32466-45-8

• 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°	110.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-681.53	kJ/mol	Joback Calculated Property
ΔfusH°	53.89	kJ/mol	Joback Calculated Property
ΔvapH°	92.65	kJ/mol	Joback Calculated Property
log10WS	-10.34		Crippen Calculated Property
logPoct/wat	9.143		Crippen Calculated Property
McVol	410.680	ml/mol	McGowan Calculated Property
Pc	753.08	kPa	Joback Calculated Property
Inp	[3052.00; 3056.30]
Inp	3052.00		NIST
Inp	3056.30		NIST
Inp	3052.00		NIST
Inp	3056.30		NIST
Tboil	996.68	K	Joback Calculated Property
Tc	1220.22	K	Joback Calculated Property
Tfus	559.00	K	Joback Calculated Property
Vc	1.575	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1459.42; 1614.06]	J/mol×K	[996.68; 1220.22]
Cp,gas	1459.42	J/mol×K	996.68	Joback Calculated Property
Cp,gas	1485.95	J/mol×K	1033.94	Joback Calculated Property
Cp,gas	1511.96	J/mol×K	1071.19	Joback Calculated Property
Cp,gas	1537.60	J/mol×K	1108.45	Joback Calculated Property
Cp,gas	1563.05	J/mol×K	1145.70	Joback Calculated Property
Cp,gas	1588.48	J/mol×K	1182.96	Joback Calculated Property
Cp,gas	1614.06	J/mol×K	1220.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to (R)-6-Methoxy-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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