Chemical Properties of Pentapropyleme glycol, monoallyl ether, acetate

InChI

InChI=1S/C20H38O7/c1-8-9-22-10-15(2)23-11-16(3)24-12-17(4)25-13-18(5)26-14-19(6)27-20(7)21/h8,15-19H,1,9-14H2,2-7H3

InChI Key

JJTCCLQKCXQLOF-UHFFFAOYSA-N

Formula

C20H38O7

SMILES

C=CCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OC(C)=O

Molecular Weight¹

390.51

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	38.97	kJ/mol	Joback Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
logPoct/wat	2.761		Crippen Calculated Property
McVol	325.150	ml/mol	McGowan Calculated Property
Pc	1016.83	kPa	Joback Calculated Property
Inp	[2126.00; 2134.00]
Inp	2128.00		NIST
Inp	2128.00		NIST
Inp	2129.00		NIST
Inp	2131.00		NIST
Inp	2126.00		NIST
Inp	2130.00		NIST
Inp	2129.00		NIST
Inp	2127.00		NIST
Inp	2129.00		NIST
Inp	2131.00		NIST
Inp	Outlier 2134.00		NIST
Inp	2129.00		NIST
Inp	2128.00		NIST
Inp	2130.00		NIST
Inp	Outlier 2134.00		NIST
Tboil	644.53	K	Relay (1.0) Calculated Property
Tc	773.60	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[511.73; 1125.94]	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			1.26216e+02
Coefficient B			1.54262e+00
Coefficient C			-4.53500e-04
Coefficient D			-8.94000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	511.73	J/mol×K	273.00	Calculated Property
Cp,gas	611.24	J/mol×K	353.78	Calculated Property
Cp,gas	703.60	J/mol×K	434.56	Calculated Property
Cp,gas	788.51	J/mol×K	515.33	Calculated Property
Cp,gas	865.70	J/mol×K	596.11	Calculated Property
Cp,gas	934.89	J/mol×K	676.89	Calculated Property
Cp,gas	995.79	J/mol×K	757.67	Calculated Property
Cp,gas	1048.12	J/mol×K	838.44	Calculated Property
Cp,gas	1091.59	J/mol×K	919.22	Calculated Property
Cp,gas	1125.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008954; 0.0000207]	Pa×s	[391.88; 706.30]	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			-1.54845e+01
Coefficient B			3.31775e+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.			391.88
Temperature range, max.			706.30
η	0.0008954	Pa×s	391.88	Calculated Property
η	0.0004478	Pa×s	426.82	Calculated Property
η	0.0002487	Pa×s	461.75	Calculated Property
η	0.0001500	Pa×s	496.69	Calculated Property
η	0.0000967	Pa×s	531.62	Calculated Property
η	0.0000658	Pa×s	566.56	Calculated Property
η	0.0000468	Pa×s	601.49	Calculated Property
η	0.0000346	Pa×s	636.43	Calculated Property
η	0.0000264	Pa×s	671.36	Calculated Property
η	0.0000207	Pa×s	706.30	Calculated Property

Similar Compounds

Find more compounds similar to Pentapropyleme glycol, monoallyl ether, acetate.

Sources

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

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