Chemical Properties of Heptapropylene glycol, diacetate

InChI

InChI=1S/C25H48O10/c1-17(29-12-19(3)31-14-21(5)33-16-23(7)35-25(9)27)10-28-18(2)11-30-20(4)13-32-22(6)15-34-24(8)26/h17-23H,10-16H2,1-9H3

InChI Key

MJSANGZCDHLUFS-UHFFFAOYSA-N

Formula

C25H48O10

SMILES

CC(=O)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OC(C)=O

Molecular Weight¹

508.65

• 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	1.1155		Relay (1.0) Calculated Property
ΔfH°gas	-2031.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.71	kJ/mol	Joback Calculated Property
ΔvapH°	119.03	kJ/mol	Relay (1.0) Calculated Property
IE	8.92	eV	Relay (1.0) Calculated Property
log10WS	-1.51		Relay (1.0) Calculated Property
logPoct/wat	2.932		Crippen Calculated Property
McVol	413.210	ml/mol	McGowan Calculated Property
Pc	748.97	kPa	Joback Calculated Property
Inp	[2651.00; 2664.00]
Inp	2655.00		NIST
Inp	2660.00		NIST
Inp	2655.00		NIST
Inp	2658.00		NIST
Inp	2659.00		NIST
Inp	2664.00		NIST
Inp	2663.00		NIST
Inp	2658.00		NIST
Inp	2654.00		NIST
Inp	2660.00		NIST
Inp	2654.00		NIST
Inp	2651.00		NIST
Inp	2655.00		NIST
Inp	2664.00		NIST
Inp	2654.00		NIST
Tboil	682.23	K	Relay (1.0) Calculated Property
Tc	811.60	K	Relay (1.0) Calculated Property
Tfus	252.27	K	Relay (1.0) Calculated Property
Vc	1.584	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	[658.72; 1440.09]	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			1.72207e+02
Coefficient B			1.93148e+00
Coefficient C			-5.03400e-04
Coefficient D			-1.60200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	658.72	J/mol×K	273.00	Calculated Property
Cp,gas	785.42	J/mol×K	353.78	Calculated Property
Cp,gas	903.33	J/mol×K	434.56	Calculated Property
Cp,gas	1011.95	J/mol×K	515.33	Calculated Property
Cp,gas	1110.77	J/mol×K	596.11	Calculated Property
Cp,gas	1199.27	J/mol×K	676.89	Calculated Property
Cp,gas	1276.97	J/mol×K	757.67	Calculated Property
Cp,gas	1343.34	J/mol×K	838.44	Calculated Property
Cp,gas	1397.88	J/mol×K	919.22	Calculated Property
Cp,gas	1440.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001827; 0.0000029]	Pa×s	[484.55; 882.15]	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			-1.77732e+01
Coefficient B			4.44116e+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.			484.55
Temperature range, max.			882.15
η	0.0001827	Pa×s	484.55	Calculated Property
η	0.0000849	Pa×s	528.73	Calculated Property
η	0.0000444	Pa×s	572.91	Calculated Property
η	0.0000255	Pa×s	617.08	Calculated Property
η	0.0000158	Pa×s	661.26	Calculated Property
η	0.0000104	Pa×s	705.44	Calculated Property
η	0.0000071	Pa×s	749.62	Calculated Property
η	0.0000051	Pa×s	793.79	Calculated Property
η	0.0000038	Pa×s	837.97	Calculated Property
η	0.0000029	Pa×s	882.15	Calculated Property

Similar Compounds

Find more compounds similar to Heptapropylene glycol, diacetate.

Sources

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

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