Chemical Properties of (E,E,E,E,E,E)-(±)-2,6,10,15,19,23-hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol (CAS 97232-74-1)

InChI

InChI=1S/C30H50O/c1-24(2)14-11-17-28(7)20-12-18-26(5)15-9-10-16-27(6)19-13-21-29(8)22-23-30(31)25(3)4/h14-16,20-21,30-31H,3,9-13,17-19,22-23H2,1-2,4-8H3/b26-15+,27-16+,28-20+,29-21+

InChI Key

JLUBMMAQMKVTGL-RLROCYJYSA-N

Formula

C30H50O

SMILES

C=C(C)C(O)CCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C

Molecular Weight¹

426.72

CAS

97232-74-1

Other Names

• (6E,10E,14E,18E)-2,6,10,15,19,23-Hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8961		Relay (1.0) Calculated Property
ΔfG°	500.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-479.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	65.89	kJ/mol	Joback Calculated Property
ΔvapH°	132.02	kJ/mol	Relay (1.0) Calculated Property
IE	7.89	eV	Relay (1.0) Calculated Property
log10WS	-7.29		Relay (1.0) Calculated Property
logPoct/wat	9.576		Crippen Calculated Property
McVol	413.630	ml/mol	McGowan Calculated Property
Pc	744.07	kPa	Joback Calculated Property
Inp	[3030.80; 3030.80]
Inp	3030.80		NIST
Inp	3030.80		NIST
Tboil	672.37	K	Relay (1.0) Calculated Property
Tc	853.45	K	Relay (1.0) Calculated Property
Tfus	293.71	K	Relay (1.0) Calculated Property
Vc	1.424	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1399.57; 1538.92]	J/mol×K	[994.30; 1219.90]
Cp,gas	1399.57	J/mol×K	994.30	Joback Calculated Property
Cp,gas	1423.39	J/mol×K	1031.90	Joback Calculated Property
Cp,gas	1446.71	J/mol×K	1069.50	Joback Calculated Property
Cp,gas	1469.72	J/mol×K	1107.10	Joback Calculated Property
Cp,gas	1492.63	J/mol×K	1144.70	Joback Calculated Property
Cp,gas	1515.63	J/mol×K	1182.30	Joback Calculated Property
Cp,gas	1538.92	J/mol×K	1219.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E,E,E,E,E,E)-(±)-2,6,10,15,19,23-hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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