Chemical Properties of (2E,6E,10E)-3,7,11,15-Tetramethylhexadeca-2,6,10,14-tetraen-1-yl formate (CAS 125456-63-5)

InChI

InChI=1S/C21H34O2/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)15-16-23-17-22/h9,11,13,15,17H,6-8,10,12,14,16H2,1-5H3/b19-11+,20-13+,21-15+

InChI Key

YCTKONHGXCYDJD-YKBIRWAZSA-N

Formula

C21H34O2

SMILES

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

Molecular Weight¹

318.49

CAS

125456-63-5

• 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	0.6514		Relay (... Calculated Property
ΔfG°	208.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-492.26	kJ/mol	Relay (... Calculated Property
ΔfusH°	49.19	kJ/mol	Joback Calculated Property
ΔvapH°	101.61	kJ/mol	Relay (... Calculated Property
IE	8.30	eV	Relay (... Calculated Property
log10WS	-6.14		Relay (... Calculated Property
logPoct/wat	6.305		Crippen Calculated Property
McVol	296.990	ml/mol	McGowan Calculated Property
Pc	1149.87	kPa	Joback Calculated Property
Inp	[2233.60; 2233.60]
Inp	2233.60		NIST
Inp	2233.60		NIST
Tboil	609.04	K	Relay (... Calculated Property
Tc	776.30	K	Relay (... Calculated Property
Tfus	255.89	K	Relay (... Calculated Property
Vc	1.022	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[871.04; 969.90]	J/mol×K	[767.12; 957.97]
Cp,gas	871.04	J/mol×K	767.12	Joback Calculated Property
Cp,gas	889.48	J/mol×K	798.93	Joback Calculated Property
Cp,gas	907.05	J/mol×K	830.74	Joback Calculated Property
Cp,gas	923.80	J/mol×K	862.54	Joback Calculated Property
Cp,gas	939.81	J/mol×K	894.35	Joback Calculated Property
Cp,gas	955.15	J/mol×K	926.16	Joback Calculated Property
Cp,gas	969.90	J/mol×K	957.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to (2E,6E,10E)-3,7,11,15-Tetramethylhexadeca-2,6,10,14-tetraen-1-yl formate.

Sources

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

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