Chemical Properties of Succinic acid, isobutyl 2-methylpent-3-yl ester

InChI

InChI=1S/C14H26O4/c1-6-12(11(4)5)18-14(16)8-7-13(15)17-9-10(2)3/h10-12H,6-9H2,1-5H3

InChI Key

GQOBLFMKOMYQST-UHFFFAOYSA-N

Formula

C14H26O4

SMILES

CCC(OC(=O)CCC(=O)OCC(C)C)C(C)C

Molecular Weight¹

258.35

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.7221		Relay (1.0) Calculated Property
ΔfG°	-408.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-986.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.02	kJ/mol	Joback Calculated Property
ΔvapH°	72.60	kJ/mol	Relay (1.0) Calculated Property
IE	9.64	eV	Relay (1.0) Calculated Property
log10WS	-3.09		Relay (1.0) Calculated Property
logPoct/wat	2.944		Crippen Calculated Property
McVol	223.000	ml/mol	McGowan Calculated Property
Pc	1671.43	kPa	Joback Calculated Property
Inp	[1591.00; 1591.00]
Inp	1591.00		NIST
Inp	1591.00		NIST
Tboil	546.02	K	Relay (1.0) Calculated Property
Tc	704.46	K	Relay (1.0) Calculated Property
Tfus	241.20	K	Relay (1.0) Calculated Property
Vc	0.827	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[623.56; 709.94]	J/mol×K	[670.98; 854.46]
Cp,gas	623.56	J/mol×K	670.98	Joback Calculated Property
Cp,gas	639.97	J/mol×K	701.56	Joback Calculated Property
Cp,gas	655.56	J/mol×K	732.14	Joback Calculated Property
Cp,gas	670.35	J/mol×K	762.72	Joback Calculated Property
Cp,gas	684.34	J/mol×K	793.30	Joback Calculated Property
Cp,gas	697.54	J/mol×K	823.88	Joback Calculated Property
Cp,gas	709.94	J/mol×K	854.46	Joback Calculated Property
η	[0.0000956; 0.0030168]	Pa×s	[346.86; 670.98]
η	0.0030168	Pa×s	346.86	Joback Calculated Property
η	0.0011517	Pa×s	400.88	Joback Calculated Property
η	0.0005527	Pa×s	454.90	Joback Calculated Property
η	0.0003099	Pa×s	508.92	Joback Calculated Property
η	0.0001942	Pa×s	562.94	Joback Calculated Property
η	0.0001321	Pa×s	616.96	Joback Calculated Property
η	0.0000956	Pa×s	670.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, isobutyl 2-methylpent-3-yl ester.

Sources

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

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