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

InChI

InChI=1S/C18H32O4/c1-14(2)7-6-8-16(5)11-12-21-17(19)9-10-18(20)22-13-15(3)4/h7,15-16H,6,8-13H2,1-5H3

InChI Key

CWXJIOXASAIOON-UHFFFAOYSA-N

Formula

C18H32O4

SMILES

CC(C)=CCCC(C)CCOC(=O)CCC(=O)OCC(C)C

Molecular Weight¹

312.44

• 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	0.8117		Relay (1.0) Calculated Property
ΔfG°	-300.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-972.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.80	kJ/mol	Joback Calculated Property
ΔvapH°	84.85	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-4.39		Relay (1.0) Calculated Property
logPoct/wat	4.282		Crippen Calculated Property
McVol	275.060	ml/mol	McGowan Calculated Property
Pc	1293.00	kPa	Joback Calculated Property
Inp	[2041.00; 2041.00]
Inp	2041.00		NIST
Inp	2041.00		NIST
Tboil	594.83	K	Relay (1.0) Calculated Property
Tc	752.53	K	Relay (1.0) Calculated Property
Tfus	241.48	K	Relay (1.0) Calculated Property
Vc	1.009	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[825.84; 915.85]	J/mol×K	[766.98; 953.83]
Cp,gas	825.84	J/mol×K	766.98	Joback Calculated Property
Cp,gas	843.16	J/mol×K	798.12	Joback Calculated Property
Cp,gas	859.52	J/mol×K	829.26	Joback Calculated Property
Cp,gas	874.94	J/mol×K	860.41	Joback Calculated Property
Cp,gas	889.46	J/mol×K	891.55	Joback Calculated Property
Cp,gas	903.09	J/mol×K	922.69	Joback Calculated Property
Cp,gas	915.85	J/mol×K	953.83	Joback Calculated Property

Similar Compounds

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

Sources

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

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