Chemical Properties of Succinic acid, 2-ethylhexyl 3-phenylpropyl ester

InChI

InChI=1S/C21H32O4/c1-3-5-10-18(4-2)17-25-21(23)15-14-20(22)24-16-9-13-19-11-7-6-8-12-19/h6-8,11-12,18H,3-5,9-10,13-17H2,1-2H3

InChI Key

UQPUXVLOJJHXMR-UHFFFAOYSA-N

Formula

C21H32O4

SMILES

CCCCC(CC)COC(=O)CCC(=O)OCCCc1ccccc1

Molecular Weight¹

348.48

• 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	0.9357		Relay (1.0) Calculated Property
ΔfG°	-231.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-842.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.24	kJ/mol	Joback Calculated Property
ΔvapH°	106.23	kJ/mol	Relay (1.0) Calculated Property
IE	8.73	eV	Relay (1.0) Calculated Property
log10WS	-5.13		Relay (1.0) Calculated Property
logPoct/wat	4.702		Crippen Calculated Property
McVol	297.870	ml/mol	McGowan Calculated Property
Pc	1272.78	kPa	Joback Calculated Property
Inp	[2525.00; 2525.00]
Inp	2525.00		NIST
Inp	2525.00		NIST
Tboil	653.62	K	Relay (1.0) Calculated Property
Tc	836.37	K	Relay (1.0) Calculated Property
Tfus	248.89	K	Relay (1.0) Calculated Property
Vc	1.088	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[938.24; 1020.07]	J/mol×K	[858.70; 1060.45]
Cp,gas	938.24	J/mol×K	858.70	Joback Calculated Property
Cp,gas	954.76	J/mol×K	892.33	Joback Calculated Property
Cp,gas	970.10	J/mol×K	925.95	Joback Calculated Property
Cp,gas	984.26	J/mol×K	959.58	Joback Calculated Property
Cp,gas	997.29	J/mol×K	993.20	Joback Calculated Property
Cp,gas	1009.22	J/mol×K	1026.83	Joback Calculated Property
Cp,gas	1020.07	J/mol×K	1060.45	Joback Calculated Property
η	[0.0000430; 0.0007178]	Pa×s	[482.17; 858.70]
η	0.0007178	Pa×s	482.17	Joback Calculated Property
η	0.0003427	Pa×s	544.92	Joback Calculated Property
η	0.0001906	Pa×s	607.68	Joback Calculated Property
η	0.0001183	Pa×s	670.43	Joback Calculated Property
η	0.0000797	Pa×s	733.19	Joback Calculated Property
η	0.0000571	Pa×s	795.94	Joback Calculated Property
η	0.0000430	Pa×s	858.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-ethylhexyl 3-phenylpropyl ester.

Sources

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

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