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

InChI

InChI=1S/C17H32O4/c1-6-7-8-9-12-20-15(18)10-11-16(19)21-14(2)13-17(3,4)5/h14H,6-13H2,1-5H3

InChI Key

CSQHULBXHJFESR-UHFFFAOYSA-N

Formula

C17H32O4

SMILES

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

Molecular Weight¹

300.43

• 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	0.8199		Relay (1.0) Calculated Property
ΔfG°	-375.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-1042.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.42	kJ/mol	Joback Calculated Property
ΔvapH°	79.96	kJ/mol	Relay (1.0) Calculated Property
IE	9.53	eV	Relay (1.0) Calculated Property
log10WS	-4.31		Relay (1.0) Calculated Property
logPoct/wat	4.258		Crippen Calculated Property
McVol	265.270	ml/mol	McGowan Calculated Property
Pc	1340.78	kPa	Joback Calculated Property
Inp	[1870.00; 1870.00]
Inp	1870.00		NIST
Inp	1870.00		NIST
Tboil	570.08	K	Relay (1.0) Calculated Property
Tc	735.95	K	Relay (1.0) Calculated Property
Tfus	272.08	K	Relay (1.0) Calculated Property
Vc	0.997	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[793.34; 884.02]	J/mol×K	[737.27; 921.13]
Cp,gas	793.34	J/mol×K	737.27	Joback Calculated Property
Cp,gas	810.75	J/mol×K	767.91	Joback Calculated Property
Cp,gas	827.21	J/mol×K	798.56	Joback Calculated Property
Cp,gas	842.74	J/mol×K	829.20	Joback Calculated Property
Cp,gas	857.37	J/mol×K	859.84	Joback Calculated Property
Cp,gas	871.12	J/mol×K	890.49	Joback Calculated Property
Cp,gas	884.02	J/mol×K	921.13	Joback Calculated Property
η	[0.0000617; 0.0013901]	Pa×s	[413.09; 737.27]
η	0.0013901	Pa×s	413.09	Joback Calculated Property
η	0.0006127	Pa×s	467.12	Joback Calculated Property
η	0.0003200	Pa×s	521.15	Joback Calculated Property
η	0.0001889	Pa×s	575.18	Joback Calculated Property
η	0.0001220	Pa×s	629.21	Joback Calculated Property
η	0.0000845	Pa×s	683.24	Joback Calculated Property
η	0.0000617	Pa×s	737.27	Joback Calculated Property

Similar Compounds

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

Sources

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

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