Chemical Properties of Ethyl hexadecanedioate (CAS 15786-31-9)

InChI

InChI=1S/C20H38O4/c1-3-23-19(21)17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(22)24-4-2/h3-18H2,1-2H3

InChI Key

AHIOKFKBLGHSSV-UHFFFAOYSA-N

Formula

C20H38O4

SMILES

CCOC(=O)CCCCCCCCCCCCCCC(=O)OCC

Molecular Weight¹

342.51

CAS

15786-31-9

Other Names

• Diethyl thapsate

• 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	1.0400		Relay (1.0) Calculated Property
ΔfG°	-503.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-1077.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.29	kJ/mol	Joback Calculated Property
ΔvapH°	110.47	kJ/mol	Relay (1.0) Calculated Property
IE	9.48	eV	Relay (1.0) Calculated Property
log10WS	-5.49		Relay (1.0) Calculated Property
logPoct/wat	5.574		Crippen Calculated Property
McVol	307.540	ml/mol	McGowan Calculated Property
Pc	1022.04	kPa	Joback Calculated Property
Inp	[2391.10; 2391.10]
Inp	2391.10		NIST
Inp	2391.10		NIST
Tboil	608.57	K	Relay (1.0) Calculated Property
Tc	784.36	K	Relay (1.0) Calculated Property
Tfus	312.36	K	Relay (1.0) Calculated Property
Vc	1.208	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[462.43; 1067.37]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.55260e+01
Coefficient B			1.79424e+00
Coefficient C			-8.75000e-04
Coefficient D			1.12600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	462.43	J/mol×K	273.00	Calculated Property
Cp,gas	565.76	J/mol×K	353.78	Calculated Property
Cp,gas	659.23	J/mol×K	434.56	Calculated Property
Cp,gas	743.20	J/mol×K	515.33	Calculated Property
Cp,gas	818.01	J/mol×K	596.11	Calculated Property
Cp,gas	884.04	J/mol×K	676.89	Calculated Property
Cp,gas	941.64	J/mol×K	757.67	Calculated Property
Cp,gas	991.15	J/mol×K	838.44	Calculated Property
Cp,gas	1032.94	J/mol×K	919.22	Calculated Property
Cp,gas	1067.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015283; 0.0000785]	Pa×s	[399.82; 665.53]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.39197e+01
Coefficient B			2.97308e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			399.82
Temperature range, max.			665.53
η	0.0015283	Pa×s	399.82	Calculated Property
η	0.0009165	Pa×s	429.34	Calculated Property
η	0.0005870	Pa×s	458.87	Calculated Property
η	0.0003968	Pa×s	488.39	Calculated Property
η	0.0002804	Pa×s	517.92	Calculated Property
η	0.0002058	Pa×s	547.44	Calculated Property
η	0.0001558	Pa×s	576.96	Calculated Property
η	0.0001213	Pa×s	606.49	Calculated Property
η	0.0000966	Pa×s	636.01	Calculated Property
η	0.0000785	Pa×s	665.53	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl hexadecanedioate.

Sources

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

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