Chemical Properties of (E)-3,7-Dimethylocta-2,6-dien-1-yl stearate (CAS 28219-83-2)

InChI

InChI=1S/C28H52O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(29)30-25-24-27(4)22-20-21-26(2)3/h21,24H,5-20,22-23,25H2,1-4H3/b27-24+

InChI Key

ILBHDXCOZDEXGP-SOYKGTTHSA-N

Formula

C28H52O2

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC=C(C)CCC=C(C)C

Molecular Weight¹

420.71

CAS

28219-83-2

• 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	1.0752		Relay (1.0) Calculated Property
ΔfG°	94.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-797.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.85	kJ/mol	Joback Calculated Property
ΔvapH°	123.75	kJ/mol	Relay (1.0) Calculated Property
IE	8.57	eV	Relay (1.0) Calculated Property
log10WS	-8.79		Relay (1.0) Calculated Property
logPoct/wat	9.484		Crippen Calculated Property
McVol	404.220	ml/mol	McGowan Calculated Property
Pc	712.63	kPa	Joback Calculated Property
Inp	[2951.10; 2951.10]
Inp	2951.10		NIST
Inp	2951.10		NIST
Tboil	651.23	K	Relay (1.0) Calculated Property
Tc	836.45	K	Relay (1.0) Calculated Property
Tfus	282.67	K	Relay (1.0) Calculated Property
Vc	1.514	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1361.61; 1482.07]	J/mol×K	[924.41; 1133.64]
Cp,gas	1361.61	J/mol×K	924.41	Joback Calculated Property
Cp,gas	1384.52	J/mol×K	959.28	Joback Calculated Property
Cp,gas	1406.17	J/mol×K	994.15	Joback Calculated Property
Cp,gas	1426.67	J/mol×K	1029.02	Joback Calculated Property
Cp,gas	1446.09	J/mol×K	1063.89	Joback Calculated Property
Cp,gas	1464.52	J/mol×K	1098.77	Joback Calculated Property
Cp,gas	1482.07	J/mol×K	1133.64	Joback Calculated Property

Similar Compounds

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

Sources

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

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