Chemical Properties of Succinic acid, 2,4-dimethylpent-3-yl isobutyl ester

InChI

InChI=1S/C15H28O4/c1-10(2)9-18-13(16)7-8-14(17)19-15(11(3)4)12(5)6/h10-12,15H,7-9H2,1-6H3

InChI Key

JCEQVOKJHWRCKG-UHFFFAOYSA-N

Formula

C15H28O4

SMILES

CC(C)COC(=O)CCC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

272.38

• 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	0.7286		Relay (1.0) Calculated Property
ΔfG°	-402.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-996.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.09	kJ/mol	Joback Calculated Property
ΔvapH°	73.54	kJ/mol	Relay (1.0) Calculated Property
IE	9.64	eV	Relay (1.0) Calculated Property
log10WS	-3.50		Relay (1.0) Calculated Property
logPoct/wat	3.190		Crippen Calculated Property
McVol	237.090	ml/mol	McGowan Calculated Property
Pc	1557.35	kPa	Joback Calculated Property
Inp	[1658.00; 1658.00]
Inp	1658.00		NIST
Inp	1658.00		NIST
Tboil	555.17	K	Relay (1.0) Calculated Property
Tc	714.67	K	Relay (1.0) Calculated Property
Tfus	253.84	K	Relay (1.0) Calculated Property
Vc	0.871	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[679.17; 768.51]	J/mol×K	[693.42; 878.58]
Cp,gas	679.17	J/mol×K	693.42	Joback Calculated Property
Cp,gas	696.25	J/mol×K	724.28	Joback Calculated Property
Cp,gas	712.44	J/mol×K	755.14	Joback Calculated Property
Cp,gas	727.76	J/mol×K	786.00	Joback Calculated Property
Cp,gas	742.20	J/mol×K	816.86	Joback Calculated Property
Cp,gas	755.78	J/mol×K	847.72	Joback Calculated Property
Cp,gas	768.51	J/mol×K	878.58	Joback Calculated Property
η	[0.0000775; 0.0036197]	Pa×s	[343.13; 693.42]
η	0.0036197	Pa×s	343.13	Joback Calculated Property
η	0.0011973	Pa×s	401.51	Joback Calculated Property
η	0.0005245	Pa×s	459.89	Joback Calculated Property
η	0.0002767	Pa×s	518.27	Joback Calculated Property
η	0.0001662	Pa×s	576.66	Joback Calculated Property
η	0.0001096	Pa×s	635.04	Joback Calculated Property
η	0.0000775	Pa×s	693.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,4-dimethylpent-3-yl isobutyl ester.

Sources

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

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