Chemical Properties of 3,6,9,12,15-Pentaoxanonadecan-1-ol (CAS 1786-94-3)

InChI

InChI=1S/C14H30O6/c1-2-3-5-16-7-9-18-11-13-20-14-12-19-10-8-17-6-4-15/h15H,2-14H2,1H3

InChI Key

AZYICGMHYYVGBY-UHFFFAOYSA-N

Formula

C14H30O6

SMILES

CCCCOCCOCCOCCOCCOCCO

Molecular Weight¹

294.38

CAS

1786-94-3

Other Names

• 2-(2-(2-(2-Butoxy-ethoxy)-ethoxy)-ethoxy)-ethoxy)-ethanol
• Pentaethylene glycol, butyl ether
• Pentaethylene glycol monobutyl ether
• 2-[2-[2-[2-(2-Butoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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	1.0732		Relay (1.0) Calculated Property
ΔfG°	-594.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-1120.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.04	kJ/mol	Joback Calculated Property
ΔvapH°	97.12	kJ/mol	Relay (1.0) Calculated Property
IE	9.69	eV	Relay (1.0) Calculated Property
log10WS	-0.67		Relay (1.0) Calculated Property
logPoct/wat	0.862		Crippen Calculated Property
McVol	243.340	ml/mol	McGowan Calculated Property
Pc	1531.86	kPa	Joback Calculated Property
Inp	[2028.00; 2034.10]
Inp	2028.00		NIST
Inp	2034.10		NIST
Inp	2028.00		NIST
Inp	2034.10		NIST
Tboil	628.30	K	Relay (1.0) Calculated Property
Tc	794.81	K	Relay (1.0) Calculated Property
Tfus	234.13	K	Relay (1.0) Calculated Property
Vc	0.940	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[392.00; 852.77]	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			1.22953e+02
Coefficient B			1.05182e+00
Coefficient C			-2.13200e-04
Coefficient D			-1.08800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	392.00	J/mol×K	273.00	Calculated Property
Cp,gas	463.56	J/mol×K	353.78	Calculated Property
Cp,gas	530.84	J/mol×K	434.56	Calculated Property
Cp,gas	593.48	J/mol×K	515.33	Calculated Property
Cp,gas	651.15	J/mol×K	596.11	Calculated Property
Cp,gas	703.49	J/mol×K	676.89	Calculated Property
Cp,gas	750.17	J/mol×K	757.67	Calculated Property
Cp,gas	790.84	J/mol×K	838.44	Calculated Property
Cp,gas	825.16	J/mol×K	919.22	Calculated Property
Cp,gas	852.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006276; 0.0000285]	Pa×s	[419.51; 623.82]	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			-1.68101e+01
Coefficient B			3.95872e+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.			419.51
Temperature range, max.			623.82
η	0.0006276	Pa×s	419.51	Calculated Property
η	0.0003866	Pa×s	442.21	Calculated Property
η	0.0002497	Pa×s	464.91	Calculated Property
η	0.0001680	Pa×s	487.61	Calculated Property
η	0.0001171	Pa×s	510.32	Calculated Property
η	0.0000841	Pa×s	533.02	Calculated Property
η	0.0000621	Pa×s	555.72	Calculated Property
η	0.0000470	Pa×s	578.42	Calculated Property
η	0.0000363	Pa×s	601.12	Calculated Property
η	0.0000285	Pa×s	623.82	Calculated Property

Similar Compounds

Find more compounds similar to 3,6,9,12,15-Pentaoxanonadecan-1-ol.

Sources

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

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