Chemical Properties of Succinic acid, 3,7-dimethyloct-6-en-1-yl octadecyl ester

InChI

InChI=1S/C32H60O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-35-31(33)24-25-32(34)36-28-26-30(4)23-21-22-29(2)3/h22,30H,5-21,23-28H2,1-4H3

InChI Key

DLFGZWOZDSIRIM-UHFFFAOYSA-N

Formula

C32H60O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCC(=O)OCCC(C)CCC=C(C)C

Molecular Weight¹

508.82

• 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	1.3315		Relay (1.0) Calculated Property
ΔfG°	-180.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-1238.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	79.58	kJ/mol	Joback Calculated Property
ΔvapH°	140.32	kJ/mol	Relay (1.0) Calculated Property
IE	8.82	eV	Relay (1.0) Calculated Property
log10WS	-8.86		Relay (1.0) Calculated Property
logPoct/wat	9.887		Crippen Calculated Property
McVol	472.320	ml/mol	McGowan Calculated Property
Pc	585.42	kPa	Joback Calculated Property
Inp	[3467.00; 3467.00]
Inp	3467.00		NIST
Inp	3467.00		NIST
Tboil	696.09	K	Relay (1.0) Calculated Property
Tc	866.54	K	Relay (1.0) Calculated Property
Tfus	292.71	K	Relay (1.0) Calculated Property
Vc	1.778	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1708.34; 1824.68]	J/mol×K	[1087.74; 1374.34]
Cp,gas	1708.34	J/mol×K	1087.74	Joback Calculated Property
Cp,gas	1733.45	J/mol×K	1135.51	Joback Calculated Property
Cp,gas	1756.02	J/mol×K	1183.27	Joback Calculated Property
Cp,gas	1776.23	J/mol×K	1231.04	Joback Calculated Property
Cp,gas	1794.29	J/mol×K	1278.81	Joback Calculated Property
Cp,gas	1810.38	J/mol×K	1326.58	Joback Calculated Property
Cp,gas	1824.68	J/mol×K	1374.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3,7-dimethyloct-6-en-1-yl octadecyl ester.

Sources

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

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