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

InChI

InChI=1S/C24H44O4/c1-5-6-7-8-9-10-11-12-19-27-23(25)16-17-24(26)28-20-18-22(4)15-13-14-21(2)3/h14,22H,5-13,15-20H2,1-4H3

InChI Key

SPMSTKYBWOWRPP-UHFFFAOYSA-N

Formula

C24H44O4

SMILES

CCCCCCCCCCOC(=O)CCC(=O)OCCC(C)CCC=C(C)C

Molecular Weight¹

396.60

• 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	1.0500		Relay (1.0) Calculated Property
ΔfG°	-247.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-1076.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.86	kJ/mol	Joback Calculated Property
ΔvapH°	109.15	kJ/mol	Relay (1.0) Calculated Property
IE	8.54	eV	Relay (1.0) Calculated Property
log10WS	-6.31		Relay (1.0) Calculated Property
logPoct/wat	6.766		Crippen Calculated Property
McVol	359.600	ml/mol	McGowan Calculated Property
Pc	883.14	kPa	Joback Calculated Property
Inp	[2666.00; 2666.00]
Inp	2666.00		NIST
Inp	2666.00		NIST
Tboil	643.11	K	Relay (1.0) Calculated Property
Tc	812.21	K	Relay (1.0) Calculated Property
Tfus	263.72	K	Relay (1.0) Calculated Property
Vc	1.339	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1190.58; 1289.17]	J/mol×K	[904.70; 1107.69]
Cp,gas	1190.58	J/mol×K	904.70	Joback Calculated Property
Cp,gas	1210.08	J/mol×K	938.53	Joback Calculated Property
Cp,gas	1228.28	J/mol×K	972.36	Joback Calculated Property
Cp,gas	1245.25	J/mol×K	1006.20	Joback Calculated Property
Cp,gas	1261.03	J/mol×K	1040.03	Joback Calculated Property
Cp,gas	1275.65	J/mol×K	1073.86	Joback Calculated Property
Cp,gas	1289.17	J/mol×K	1107.69	Joback Calculated Property

Similar Compounds

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

Sources

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

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