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

InChI

InChI=1S/C16H28O4/c1-5-19-15(17)9-10-16(18)20-12-11-14(4)8-6-7-13(2)3/h7,14H,5-6,8-12H2,1-4H3

InChI Key

VKLLETSMEDKLDV-UHFFFAOYSA-N

Formula

C16H28O4

SMILES

CCOC(=O)CCC(=O)OCCC(C)CCC=C(C)C

Molecular Weight¹

284.39

• 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	0.7514		Relay (1.0) Calculated Property
ΔfG°	-314.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-921.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.14	kJ/mol	Joback Calculated Property
ΔvapH°	84.03	kJ/mol	Relay (1.0) Calculated Property
IE	8.36	eV	Relay (1.0) Calculated Property
log10WS	-3.87		Relay (1.0) Calculated Property
logPoct/wat	3.645		Crippen Calculated Property
McVol	246.880	ml/mol	McGowan Calculated Property
Pc	1482.71	kPa	Joback Calculated Property
Inp	[1896.00; 1896.00]
Inp	1896.00		NIST
Inp	1896.00		NIST
Tboil	579.93	K	Relay (1.0) Calculated Property
Tc	738.45	K	Relay (1.0) Calculated Property
Tfus	240.46	K	Relay (1.0) Calculated Property
Vc	0.899	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[710.57; 796.60]	J/mol×K	[721.66; 906.27]
Cp,gas	710.57	J/mol×K	721.66	Joback Calculated Property
Cp,gas	726.98	J/mol×K	752.43	Joback Calculated Property
Cp,gas	742.54	J/mol×K	783.20	Joback Calculated Property
Cp,gas	757.26	J/mol×K	813.96	Joback Calculated Property
Cp,gas	771.17	J/mol×K	844.73	Joback Calculated Property
Cp,gas	784.28	J/mol×K	875.50	Joback Calculated Property
Cp,gas	796.60	J/mol×K	906.27	Joback Calculated Property

Similar Compounds

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

Sources

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

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