Chemical Properties of Dodecaethylene dlycol, diacetate

InChI

InChI=1S/C28H54O15/c1-27(29)42-25-23-40-21-19-38-17-15-36-13-11-34-9-7-32-5-3-31-4-6-33-8-10-35-12-14-37-16-18-39-20-22-41-24-26-43-28(2)30/h3-26H2,1-2H3

InChI Key

NLTBKVUNFXCUKF-UHFFFAOYSA-N

Formula

C28H54O15

SMILES

CC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(C)=O

Molecular Weight¹

630.72

• 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	1.6847		Relay (1.0) Calculated Property
ΔfG°	-1590.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-2584.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	90.08	kJ/mol	Joback Calculated Property
ΔvapH°	145.99	kJ/mol	Relay (1.0) Calculated Property
IE	9.50	eV	Relay (1.0) Calculated Property
log10WS	-0.59		Relay (1.0) Calculated Property
logPoct/wat	0.295		Crippen Calculated Property
McVol	484.830	ml/mol	McGowan Calculated Property
Pc	599.85	kPa	Joback Calculated Property
Inp	[3944.00; 3954.00]
Inp	3950.00		NIST
Inp	3949.00		NIST
Inp	3952.00		NIST
Inp	3945.00		NIST
Inp	3954.00		NIST
Inp	3948.00		NIST
Inp	3947.00		NIST
Inp	3944.00		NIST
Inp	3954.00		NIST
Inp	3950.00		NIST
Inp	3948.00		NIST
Inp	3948.00		NIST
Inp	3950.00		NIST
Inp	3948.00		NIST
Tboil	794.75	K	Relay (1.0) Calculated Property
Tc	941.53	K	Relay (1.0) Calculated Property
Tfus	220.23	K	Relay (1.0) Calculated Property
Vc	1.851	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[801.59; 1683.59]	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			3.08754e+02
Coefficient B			1.85904e+00
Coefficient C			-8.92000e-05
Coefficient D			-3.95000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	801.59	J/mol×K	273.00	Calculated Property
Cp,gas	937.79	J/mol×K	353.78	Calculated Property
Cp,gas	1067.35	J/mol×K	434.56	Calculated Property
Cp,gas	1189.03	J/mol×K	515.33	Calculated Property
Cp,gas	1301.58	J/mol×K	596.11	Calculated Property
Cp,gas	1403.74	J/mol×K	676.89	Calculated Property
Cp,gas	1494.28	J/mol×K	757.67	Calculated Property
Cp,gas	1571.93	J/mol×K	838.44	Calculated Property
Cp,gas	1635.45	J/mol×K	919.22	Calculated Property
Cp,gas	1683.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000048; 0.0000004]	Pa×s	[734.51; 1140.97]	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			-1.91471e+01
Coefficient B			5.06935e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			734.51
Temperature range, max.			1140.97
η	0.0000048	Pa×s	734.51	Calculated Property
η	0.0000032	Pa×s	779.67	Calculated Property
η	0.0000023	Pa×s	824.84	Calculated Property
η	0.0000016	Pa×s	870.00	Calculated Property
η	0.0000012	Pa×s	915.16	Calculated Property
η	0.0000009	Pa×s	960.32	Calculated Property
η	0.0000007	Pa×s	1005.49	Calculated Property
η	0.0000006	Pa×s	1050.65	Calculated Property
η	0.0000005	Pa×s	1095.81	Calculated Property
η	0.0000004	Pa×s	1140.97	Calculated Property

Similar Compounds

Find more compounds similar to Dodecaethylene dlycol, diacetate.

Sources

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

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