Chemical Properties of Pentaethylene glycol, monoallyl ether, acetate

InChI

InChI=1S/C15H28O7/c1-3-4-17-5-6-18-7-8-19-9-10-20-11-12-21-13-14-22-15(2)16/h3H,1,4-14H2,2H3

InChI Key

ZEMNJRMFSLCADF-UHFFFAOYSA-N

Formula

C15H28O7

SMILES

C=CCOCCOCCOCCOCCOCCOC(C)=O

Molecular Weight¹

320.38

• 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	0.9312		Relay (1.0) Calculated Property
ΔfH°gas	-1194.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.63	kJ/mol	Joback Calculated Property
ΔvapH°	93.57	kJ/mol	Relay (1.0) Calculated Property
IE	9.24	eV	Relay (1.0) Calculated Property
log10WS	-0.72		Relay (1.0) Calculated Property
logPoct/wat	0.819		Crippen Calculated Property
McVol	254.700	ml/mol	McGowan Calculated Property
Pc	1375.82	kPa	Joback Calculated Property
Inp	[2071.00; 2080.00]
Inp	2076.00		NIST
Inp	2080.00		NIST
Inp	2078.00		NIST
Inp	2076.00		NIST
Inp	2073.00		NIST
Inp	2077.00		NIST
Inp	2078.00		NIST
Inp	2076.00		NIST
Inp	Outlier 2071.00		NIST
Inp	2080.00		NIST
Inp	2075.00		NIST
Inp	2075.00		NIST
Inp	2076.00		NIST
Inp	2077.00		NIST
Inp	2075.00		NIST
Tboil	639.00	K	Relay (1.0) Calculated Property
Tc	781.57	K	Relay (1.0) Calculated Property
Tfus	228.30	K	Relay (1.0) Calculated Property
Vc	0.956	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	[407.24; 865.29]	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			1.39171e+02
Coefficient B			1.03802e+00
Coefficient C			-1.65500e-04
Coefficient D			-1.46400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	407.24	J/mol×K	273.00	Calculated Property
Cp,gas	479.20	J/mol×K	353.78	Calculated Property
Cp,gas	546.98	J/mol×K	434.56	Calculated Property
Cp,gas	610.11	J/mol×K	515.33	Calculated Property
Cp,gas	668.12	J/mol×K	596.11	Calculated Property
Cp,gas	720.56	J/mol×K	676.89	Calculated Property
Cp,gas	766.96	J/mol×K	757.67	Calculated Property
Cp,gas	806.86	J/mol×K	838.44	Calculated Property
Cp,gas	839.79	J/mol×K	919.22	Calculated Property
Cp,gas	865.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005297; 0.0000609]	Pa×s	[410.53; 616.49]	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			-1.40175e+01
Coefficient B			2.65785e+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.			410.53
Temperature range, max.			616.49
η	0.0005297	Pa×s	410.53	Calculated Property
η	0.0003763	Pa×s	433.41	Calculated Property
η	0.0002767	Pa×s	456.30	Calculated Property
η	0.0002095	Pa×s	479.18	Calculated Property
η	0.0001627	Pa×s	502.07	Calculated Property
η	0.0001292	Pa×s	524.95	Calculated Property
η	0.0001045	Pa×s	547.84	Calculated Property
η	0.0000861	Pa×s	570.72	Calculated Property
η	0.0000719	Pa×s	593.61	Calculated Property
η	0.0000609	Pa×s	616.49	Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.