Chemical Properties of (E)-3,7-Dimethylocta-2,6-dien-1-yl tetradecanoate (CAS 72934-10-2)

InChI

InChI=1S/C24H44O2/c1-5-6-7-8-9-10-11-12-13-14-15-19-24(25)26-21-20-23(4)18-16-17-22(2)3/h17,20H,5-16,18-19,21H2,1-4H3/b23-20+

InChI Key

BVBISCLEXKZRHD-BSYVCWPDSA-N

Formula

C24H44O2

SMILES

CCCCCCCCCCCCCC(=O)OCC=C(C)CCC=C(C)C

Molecular Weight¹

364.61

CAS

72934-10-2

• 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	0.9338		Relay (1.0) Calculated Property
ΔfG°	60.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-712.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.49	kJ/mol	Joback Calculated Property
ΔvapH°	107.45	kJ/mol	Relay (1.0) Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-7.61		Relay (1.0) Calculated Property
logPoct/wat	7.923		Crippen Calculated Property
McVol	347.860	ml/mol	McGowan Calculated Property
Pc	884.72	kPa	Joback Calculated Property
Inp	[2548.20; 2548.20]
Inp	2548.20		NIST
Inp	2548.20		NIST
Tboil	624.45	K	Relay (1.0) Calculated Property
Tc	805.87	K	Relay (1.0) Calculated Property
Tfus	267.55	K	Relay (1.0) Calculated Property
Vc	1.294	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1105.43; 1214.15]	J/mol×K	[832.89; 1021.55]
Cp,gas	1105.43	J/mol×K	832.89	Joback Calculated Property
Cp,gas	1125.95	J/mol×K	864.33	Joback Calculated Property
Cp,gas	1145.43	J/mol×K	895.78	Joback Calculated Property
Cp,gas	1163.93	J/mol×K	927.22	Joback Calculated Property
Cp,gas	1181.51	J/mol×K	958.67	Joback Calculated Property
Cp,gas	1198.23	J/mol×K	990.11	Joback Calculated Property
Cp,gas	1214.15	J/mol×K	1021.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-3,7-Dimethylocta-2,6-dien-1-yl tetradecanoate.

Sources

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

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