Chemical Properties of Dipentaerythritol (CAS 126-58-9)

InChI

InChI=1S/C10H22O7/c11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16/h11-16H,1-8H2

InChI Key

TXBCBTDQIULDIA-UHFFFAOYSA-N

Formula

C10H22O7

SMILES

OCC(CO)(CO)COCC(CO)(CO)CO

Molecular Weight¹

254.28

CAS

126-58-9

Other Names

• 1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-
• 2,2,2',2'-tetrakis(hydroxymethyl)-3,3'-oxydipropan-1-ol
• 2,2,6,6,-Tetra(hydroxymethyl)-4-oxaheptane-1,7-diol
• 2,2,6,6-Tetrakis(hydroxymethyl)-4-oxaheptane-1,7-diol
• Bis[petaerythritol]
• Dipentek
• Hercules Tech Di-PE
• NSC 65881

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[305.11; 668.70]	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			2.09800e+00
Coefficient B			1.34620e+00
Coefficient C			-9.35200e-04
Coefficient D			2.55600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	305.11	J/mol×K	273.00	Calculated Property
Cp,gas	372.62	J/mol×K	353.78	Calculated Property
Cp,gas	431.47	J/mol×K	434.56	Calculated Property
Cp,gas	482.46	J/mol×K	515.33	Calculated Property
Cp,gas	526.40	J/mol×K	596.11	Calculated Property
Cp,gas	564.11	J/mol×K	676.89	Calculated Property
Cp,gas	596.38	J/mol×K	757.67	Calculated Property
Cp,gas	624.03	J/mol×K	838.44	Calculated Property
Cp,gas	647.87	J/mol×K	919.22	Calculated Property
Cp,gas	668.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001776; 3.4387617e-09]	Pa×s	[492.15; 876.91]	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			-3.33696e+01
Coefficient B			1.21728e+04
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.			492.15
Temperature range, max.			876.91
η	0.0001776	Pa×s	492.15	Calculated Property
η	0.0000246	Pa×s	534.90	Calculated Property
η	0.0000046	Pa×s	577.65	Calculated Property
η	0.0000011	Pa×s	620.40	Calculated Property
η	0.0000003	Pa×s	663.15	Calculated Property
η	9.9271706e-08	Pa×s	705.91	Calculated Property
η	3.7082831e-08	Pa×s	748.66	Calculated Property
η	1.5407177e-08	Pa×s	791.41	Calculated Property
η	7.0044219e-09	Pa×s	834.16	Calculated Property
η	3.4387617e-09	Pa×s	876.91	Calculated Property

Similar Compounds

Find more compounds similar to Dipentaerythritol.

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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