Chemical Properties of Pentaerithrol, tetrakis-(2-ethylhexanoate)

InChI

InChI=1S/C37H68O8/c1-9-17-21-29(13-5)33(38)42-25-37(26-43-34(39)30(14-6)22-18-10-2,27-44-35(40)31(15-7)23-19-11-3)28-45-36(41)32(16-8)24-20-12-4/h29-32H,9-28H2,1-8H3

InChI Key

DRRMRHKHTQRWMB-UHFFFAOYSA-N

Formula

C37H68O8

SMILES

CCCCC(CC)C(=O)OCC(COC(=O)C(CC)CCCC)(COC(=O)C(CC)CCCC)COC(=O)C(CC)CCCC

Molecular Weight¹

640.94

Other Names

• 2,2-bis[[(2-ethyl-1-oxohexyl)oxy]methyl]propane-1,3-diyl bis(2-ethylhexanoate)
• Pentaerythritol tetra-2-ethylhexanoate
• pentaerythritol tetra(2-ethylhexanoate)

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-2046.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	87.56	kJ/mol	Joback Calculated Property
ΔvapH°	142.44	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.07		Relay (1.0) Calculated Property
logPoct/wat	9.011		Crippen Calculated Property
McVol	561.950	ml/mol	McGowan Calculated Property
Pc	452.89	kPa	Joback Calculated Property
Tboil	730.00	K	Relay (1.0) Calculated Property
Tc	910.50	K	Relay (1.0) Calculated Property
Tfus	294.49	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	126.40	kJ/mol	399.00	NIST
Pvap	[1.27e-07; 6.44e-04]	kPa	[353.96; 443.17]
Pvap	1.27e-07	kPa	353.96	Vapor pressure measurements in the range 10-5 Pa to 1 Pa of four pentaerythritol esters Density and vapor liquid equilibria modeling of ester lubricants
Pvap	3.67e-07	kPa	363.89	Vapor pressure measurements in the range 10-5 Pa to 1 Pa of four pentaerythritol esters Density and vapor liquid equilibria modeling of ester lubricants
Pvap	1.07e-06	kPa	373.81	Vapor pressure measurements in the range 10-5 Pa to 1 Pa of four pentaerythritol esters Density and vapor liquid equilibria modeling of ester lubricants
Pvap	3.37e-06	kPa	383.56	Vapor pressure measurements in the range 10-5 Pa to 1 Pa of four pentaerythritol esters Density and vapor liquid equilibria modeling of ester lubricants
Pvap	8.94e-06	kPa	393.56	Vapor pressure measurements in the range 10-5 Pa to 1 Pa of four pentaerythritol esters Density and vapor liquid equilibria modeling of ester lubricants
Pvap	2.37e-05	kPa	403.44	Vapor pressure measurements in the range 10-5 Pa to 1 Pa of four pentaerythritol esters Density and vapor liquid equilibria modeling of ester lubricants
Pvap	5.82e-05	kPa	413.44	Vapor pressure measurements in the range 10-5 Pa to 1 Pa of four pentaerythritol esters Density and vapor liquid equilibria modeling of ester lubricants
Pvap	1.33e-04	kPa	423.40	Vapor pressure measurements in the range 10-5 Pa to 1 Pa of four pentaerythritol esters Density and vapor liquid equilibria modeling of ester lubricants
Pvap	2.87e-04	kPa	433.18	Vapor pressure measurements in the range 10-5 Pa to 1 Pa of four pentaerythritol esters Density and vapor liquid equilibria modeling of ester lubricants
Pvap	6.44e-04	kPa	443.17	Vapor pressure measurements in the range 10-5 Pa to 1 Pa of four pentaerythritol esters Density and vapor liquid equilibria modeling of ester lubricants

Datasets

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
278.15	100.00	971.86
278.15	1000.00	972.35
278.15	5000.00	974.57
278.15	10000.00	977.26
278.15	15000.00	979.87
278.15	20000.00	982.42
278.15	25000.00	984.85
278.15	30000.00	987.27
278.15	35000.00	989.6
278.15	40000.00	991.89
278.15	45000.00	994.12
283.15	100.00	968.45
283.15	1000.00	968.97
283.15	5000.00	971.24
283.15	10000.00	974.05
283.15	15000.00	976.74
283.15	20000.00	979.35
283.15	25000.00	981.87
283.15	30000.00	984.34
283.15	35000.00	986.75
283.15	40000.00	989.06
283.15	45000.00	991.35
293.15	100.00	961.62
293.15	1000.00	962.16
293.15	5000.00	964.55
293.15	10000.00	967.46
293.15	15000.00	970.3
293.15	20000.00	973.0
293.15	25000.00	975.67
293.15	30000.00	978.27
293.15	35000.00	980.77
293.15	40000.00	983.23
293.15	45000.00	985.61
303.15	100.00	954.72
303.15	1000.00	955.27
303.15	5000.00	957.79
303.15	10000.00	960.83
303.15	15000.00	963.79
303.15	20000.00	966.65
303.15	25000.00	969.41
303.15	30000.00	972.11
303.15	35000.00	974.73
303.15	40000.00	977.27
303.15	45000.00	979.76
313.15	100.00	947.88
313.15	1000.00	948.35
313.15	5000.00	950.98
313.15	10000.00	954.14
313.15	15000.00	957.23
313.15	20000.00	960.21
313.15	25000.00	963.1
313.15	30000.00	965.89
313.15	35000.00	968.62
313.15	40000.00	971.26
313.15	45000.00	973.82
323.15	100.00	940.45
323.15	1000.00	941.25
323.15	5000.00	943.86
323.15	10000.00	947.2
323.15	15000.00	950.44
323.15	20000.00	953.54
323.15	25000.00	956.57
323.15	30000.00	959.48
323.15	35000.00	962.32
323.15	40000.00	965.0
323.15	45000.00	967.75
333.15	100.00	933.58
333.15	1000.00	934.21
333.15	5000.00	937.13
333.15	10000.00	940.66
333.15	15000.00	944.02
333.15	20000.00	947.27
333.15	25000.00	950.4
333.15	30000.00	953.41
333.15	35000.00	956.37
333.15	40000.00	959.21
333.15	45000.00	961.98
343.15	100.00	926.49
343.15	1000.00	927.17
343.15	5000.00	930.23
343.15	10000.00	933.89
343.15	15000.00	937.42
343.15	20000.00	940.81
343.15	25000.00	944.09
343.15	30000.00	947.23
343.15	35000.00	950.27
343.15	40000.00	953.23
343.15	45000.00	956.09
353.15	100.00	919.45
353.15	1000.00	920.14
353.15	5000.00	923.34
353.15	10000.00	927.13
353.15	15000.00	930.84
353.15	20000.00	934.37
353.15	25000.00	937.77
353.15	30000.00	941.05
353.15	35000.00	944.19
353.15	40000.00	947.27
353.15	45000.00	950.24
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[853.02; 1964.25]	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			3.96900e+01
Coefficient B			3.44916e+00
Coefficient C			-1.79520e-03
Coefficient D			2.70600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	853.02	J/mol×K	273.00	Calculated Property
Cp,gas	1047.22	J/mol×K	353.78	Calculated Property
Cp,gas	1221.74	J/mol×K	434.56	Calculated Property
Cp,gas	1377.44	J/mol×K	515.33	Calculated Property
Cp,gas	1515.17	J/mol×K	596.11	Calculated Property
Cp,gas	1635.79	J/mol×K	676.89	Calculated Property
Cp,gas	1740.15	J/mol×K	757.67	Calculated Property
Cp,gas	1829.11	J/mol×K	838.44	Calculated Property
Cp,gas	1903.52	J/mol×K	919.22	Calculated Property
Cp,gas	1964.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000458; 0.0000005]	Pa×s	[618.49; 1201.49]	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			-1.92801e+01
Coefficient B			5.74506e+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.			618.49
Temperature range, max.			1201.49
η	0.0000458	Pa×s	618.49	Calculated Property
η	0.0000190	Pa×s	683.27	Calculated Property
η	0.0000092	Pa×s	748.04	Calculated Property
η	0.0000050	Pa×s	812.82	Calculated Property
η	0.0000029	Pa×s	877.60	Calculated Property
η	0.0000019	Pa×s	942.38	Calculated Property
η	0.0000013	Pa×s	1007.15	Calculated Property
η	0.0000009	Pa×s	1071.93	Calculated Property
η	0.0000007	Pa×s	1136.71	Calculated Property
η	0.0000005	Pa×s	1201.49	Calculated Property

Similar Compounds

Find more compounds similar to Pentaerithrol, tetrakis-(2-ethylhexanoate).

Mixtures

• Carbon dioxide + Pentaerithrol, tetrakis-(2-ethylhexanoate)

Sources

• 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
• Vapor pressure measurements in the range 10-5 Pa to 1 Pa of four pentaerythritol esters Density and vapor liquid equilibria modeling of ester lubricants
• Compressed Liquid Densities of Squalane and Pentaerythritol Tetra(2-ethylhexanoate)
• Density Measurements under Pressure for Mixtures of Pentaerythritol Ester Lubricants. Analysis of a Density-Viscosity Relationship
• Solubility of Carbon Dioxide in Two Pentaerythritol Ester Oils between (283 and 333) K
• Joback Method
• McGowan Method
• NIST Webbook

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