Chemical Properties of Nonapropylene glycol, diacetate

InChI

InChI=1S/C31H60O12/c1-21(35-14-23(3)37-16-25(5)39-18-27(7)41-20-29(9)43-31(11)33)12-34-22(2)13-36-24(4)15-38-26(6)17-40-28(8)19-42-30(10)32/h21-29H,12-20H2,1-11H3

InChI Key

CZRPPDQZLXOFSZ-UHFFFAOYSA-N

Formula

C31H60O12

SMILES

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

Molecular Weight¹

624.81

• 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	1.3051		Relay (1.0) Calculated Property
ΔfH°gas	-2430.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.58	kJ/mol	Joback Calculated Property
ΔvapH°	134.30	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
log10WS	-1.84		Relay (1.0) Calculated Property
logPoct/wat	3.742		Crippen Calculated Property
McVol	509.490	ml/mol	McGowan Calculated Property
Pc	554.15	kPa	Joback Calculated Property
Inp	[3192.00; 3198.00]
Inp	3194.00		NIST
Inp	3194.00		NIST
Inp	3194.00		NIST
Inp	3195.00		NIST
Inp	3195.00		NIST
Inp	3196.00		NIST
Inp	3192.00		NIST
Inp	Outlier 3198.00		NIST
Inp	3195.00		NIST
Inp	3196.00		NIST
Inp	3194.00		NIST
Inp	3192.00		NIST
Inp	3194.00		NIST
Inp	3196.00		NIST
Tboil	739.37	K	Relay (1.0) Calculated Property
Tc	854.82	K	Relay (1.0) Calculated Property
Tfus	246.01	K	Relay (1.0) Calculated Property
Vc	1.948	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	[816.19; 1787.71]	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			2.14389e+02
Coefficient B			2.38692e+00
Coefficient C			-6.14200e-04
Coefficient D			-1.99400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	816.19	J/mol×K	273.00	Calculated Property
Cp,gas	973.13	J/mol×K	353.78	Calculated Property
Cp,gas	1119.29	J/mol×K	434.56	Calculated Property
Cp,gas	1254.05	J/mol×K	515.33	Calculated Property
Cp,gas	1376.77	J/mol×K	596.11	Calculated Property
Cp,gas	1486.81	J/mol×K	676.89	Calculated Property
Cp,gas	1583.56	J/mol×K	757.67	Calculated Property
Cp,gas	1666.38	J/mol×K	838.44	Calculated Property
Cp,gas	1734.64	J/mol×K	919.22	Calculated Property
Cp,gas	1787.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000304; 0.0000003]	Pa×s	[566.63; 1094.39]	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			-1.98016e+01
Coefficient B			5.32594e+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.			566.63
Temperature range, max.			1094.39
η	0.0000304	Pa×s	566.63	Calculated Property
η	0.0000126	Pa×s	625.27	Calculated Property
η	0.0000061	Pa×s	683.91	Calculated Property
η	0.0000033	Pa×s	742.55	Calculated Property
η	0.0000019	Pa×s	801.19	Calculated Property
η	0.0000012	Pa×s	859.83	Calculated Property
η	0.0000008	Pa×s	918.47	Calculated Property
η	0.0000006	Pa×s	977.11	Calculated Property
η	0.0000004	Pa×s	1035.75	Calculated Property
η	0.0000003	Pa×s	1094.39	Calculated Property

Similar Compounds

Find more compounds similar to Nonapropylene glycol, diacetate.

Sources

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

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