Chemical Properties of Succinic acid, di(2,4,4-trimethylpentyl) ester

InChI

InChI=1S/C20H38O4/c1-15(11-19(3,4)5)13-23-17(21)9-10-18(22)24-14-16(2)12-20(6,7)8/h15-16H,9-14H2,1-8H3

InChI Key

UPELHNUPBADRJV-UHFFFAOYSA-N

Formula

C20H38O4

SMILES

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

Molecular Weight¹

342.51

• 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	0.8345		Relay (1.0) Calculated Property
ΔfG°	-349.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-1145.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.26	kJ/mol	Joback Calculated Property
ΔvapH°	83.83	kJ/mol	Relay (1.0) Calculated Property
IE	9.34	eV	Relay (1.0) Calculated Property
log10WS	-5.48		Relay (1.0) Calculated Property
logPoct/wat	4.998		Crippen Calculated Property
McVol	307.540	ml/mol	McGowan Calculated Property
Pc	1117.06	kPa	Joback Calculated Property
Inp	[2080.00; 2080.00]
Inp	2080.00		NIST
Inp	2080.00		NIST
Tboil	600.38	K	Relay (1.0) Calculated Property
Tc	759.62	K	Relay (1.0) Calculated Property
Tfus	304.66	K	Relay (1.0) Calculated Property
Vc	1.155	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[972.22; 1067.96]	J/mol×K	[802.24; 994.46]
Cp,gas	972.22	J/mol×K	802.24	Joback Calculated Property
Cp,gas	990.84	J/mol×K	834.28	Joback Calculated Property
Cp,gas	1008.33	J/mol×K	866.31	Joback Calculated Property
Cp,gas	1024.74	J/mol×K	898.35	Joback Calculated Property
Cp,gas	1040.11	J/mol×K	930.39	Joback Calculated Property
Cp,gas	1054.51	J/mol×K	962.43	Joback Calculated Property
Cp,gas	1067.96	J/mol×K	994.46	Joback Calculated Property
η	[0.0000290; 0.0011509]	Pa×s	[434.32; 802.24]
η	0.0011509	Pa×s	434.32	Joback Calculated Property
η	0.0004263	Pa×s	495.64	Joback Calculated Property
η	0.0001965	Pa×s	556.96	Joback Calculated Property
η	0.0001056	Pa×s	618.28	Joback Calculated Property
η	0.0000635	Pa×s	679.60	Joback Calculated Property
η	0.0000415	Pa×s	740.92	Joback Calculated Property
η	0.0000290	Pa×s	802.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, di(2,4,4-trimethylpentyl) ester.

Sources

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

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