Chemical Properties of Octadecanoic acid, 1,2-ethanediyl ester (CAS 627-83-8)

InChI

InChI=1S/C38H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3

InChI Key

FPVVYTCTZKCSOJ-UHFFFAOYSA-N

Formula

C38H74O4

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC

Molecular Weight¹

594.99

CAS

627-83-8

Other Names

• 2-(Stearoyloxy)ethyl stearate
• Alkamuls EGDS
• EGDS
• Elfan L 310
• Emalex EG-diS
• Emerest 2355
• Ethylene dioctadecanoate
• Ethylene distearate
• Ethylene glycol dioctadecanoate
• Ethylene glycol distearate
• Ethylene glycol, diester with stearic acid
• Ethylene stearate
• Genapol PMS
• Glycol distearate
• Kemester EGDS
• Kessco EGDS
• Lexemul EGDS
• Lipo EGDS
• Mapeg EGDS
• McAlester EGDS
• NSC 6820
• Octadecanoic acid, 1,1'-(1,2-ethanediyl) ester
• Pegosperse 50DS
• Rewopal PG 280
• Rita EDGS
• Secoster DMS
• Stearic acid, ethylene ester
• Tegin BL 315

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	1.6796		Relay (1.0) Calculated Property
ΔfH°gas	-1424.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	102.91	kJ/mol	Joback Calculated Property
ΔvapH°	175.92	kJ/mol	Relay (1.0) Calculated Property
IE	10.13	eV	Relay (1.0) Calculated Property
log10WS	-11.11		Relay (1.0) Calculated Property
logPoct/wat	12.596		Crippen Calculated Property
McVol	561.160	ml/mol	McGowan Calculated Property
Pc	424.07	kPa	Joback Calculated Property
Inp	[4057.00; 4057.00]
Inp	4057.00		NIST
Inp	4057.00		NIST
Tboil	724.81	K	Relay (1.0) Calculated Property
Tc	894.36	K	Relay (1.0) Calculated Property
Tfus	[348.50; 352.15]	K
Tfus	352.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	348.50 ± 0.50	K	NIST
Vc	2.192	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[844.28; 1996.00]	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			1.91640e+01
Coefficient B			3.50424e+00
Coefficient C			-1.85420e-03
Coefficient D			3.26800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	844.28	J/mol×K	273.00	Calculated Property
Cp,gas	1041.29	J/mol×K	353.78	Calculated Property
Cp,gas	1218.62	J/mol×K	434.56	Calculated Property
Cp,gas	1377.32	J/mol×K	515.33	Calculated Property
Cp,gas	1518.42	J/mol×K	596.11	Calculated Property
Cp,gas	1642.94	J/mol×K	676.89	Calculated Property
Cp,gas	1751.93	J/mol×K	757.67	Calculated Property
Cp,gas	1846.41	J/mol×K	838.44	Calculated Property
Cp,gas	1927.43	J/mol×K	919.22	Calculated Property
Cp,gas	1996.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0266552; 0.0000027]	Pa×s	[350.32; 1127.70]	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			-1.69494e+01
Coefficient B			4.66796e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			350.32
Temperature range, max.			1127.70
η	0.0266552	Pa×s	350.32	Calculated Property
η	0.0019108	Pa×s	436.70	Calculated Property
η	0.0003271	Pa×s	523.07	Calculated Property
η	0.0000923	Pa×s	609.45	Calculated Property
η	0.0000357	Pa×s	695.82	Calculated Property
η	0.0000170	Pa×s	782.20	Calculated Property
η	0.0000094	Pa×s	868.57	Calculated Property
η	0.0000058	Pa×s	954.95	Calculated Property
η	0.0000039	Pa×s	1041.32	Calculated Property
η	0.0000027	Pa×s	1127.70	Calculated Property

Similar Compounds

Find more compounds similar to Octadecanoic acid, 1,2-ethanediyl ester.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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