Chemical Properties of 2H-Pyran, tetrahydro-, 2,6-dibutoxy

InChI

InChI=1S/C13H26O3/c1-3-5-10-14-12-8-7-9-13(16-12)15-11-6-4-2/h12-13H,3-11H2,1-2H3

InChI Key

PLYVDYQDYJXNKA-UHFFFAOYSA-N

Formula

C13H26O3

SMILES

CCCCOC1CCCC(OCCCC)O1

Molecular Weight¹

230.35

Other Names

• 2,6-Dibutoxy-tetrahydropyran

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5915		Relay (1.0) Calculated Property
ΔfG°	-220.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-697.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.69	kJ/mol	Joback Calculated Property
ΔvapH°	68.73	kJ/mol	Relay (1.0) Calculated Property
IE	9.52	eV	Relay (1.0) Calculated Property
log10WS	-3.22		Relay (1.0) Calculated Property
logPoct/wat	3.472		Crippen Calculated Property
McVol	200.780	ml/mol	McGowan Calculated Property
Pc	1830.98	kPa	Joback Calculated Property
Inp	[1420.00; 1420.00]
Inp	1420.00		NIST
Inp	1420.00		NIST
Inp	1420.00		NIST
Tboil	536.47	K	Relay (1.0) Calculated Property
Tc	725.02	K	Relay (1.0) Calculated Property
Tfus	221.98	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume 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	[293.58; 738.27]	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			-2.74000e-01
Coefficient B			1.20504e+00
Coefficient C			-4.73100e-04
Coefficient D			6.60000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	293.58	J/mol×K	273.00	Calculated Property
Cp,gas	367.12	J/mol×K	353.78	Calculated Property
Cp,gas	434.58	J/mol×K	434.56	Calculated Property
Cp,gas	495.99	J/mol×K	515.33	Calculated Property
Cp,gas	551.35	J/mol×K	596.11	Calculated Property
Cp,gas	600.69	J/mol×K	676.89	Calculated Property
Cp,gas	644.03	J/mol×K	757.67	Calculated Property
Cp,gas	681.39	J/mol×K	838.44	Calculated Property
Cp,gas	712.80	J/mol×K	919.22	Calculated Property
Cp,gas	738.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026096; 0.0001992]	Pa×s	[310.44; 539.25]	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			-1.20114e+01
Coefficient B			1.88215e+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.			310.44
Temperature range, max.			539.25
η	0.0026096	Pa×s	310.44	Calculated Property
η	0.0016491	Pa×s	335.86	Calculated Property
η	0.0011117	Pa×s	361.29	Calculated Property
η	0.0007893	Pa×s	386.71	Calculated Property
η	0.0005846	Pa×s	412.13	Calculated Property
η	0.0004484	Pa×s	437.56	Calculated Property
η	0.0003540	Pa×s	462.98	Calculated Property
η	0.0002865	Pa×s	488.41	Calculated Property
η	0.0002368	Pa×s	513.83	Calculated Property
η	0.0001992	Pa×s	539.25	Calculated Property

Similar Compounds

Find more compounds similar to 2H-Pyran, tetrahydro-, 2,6-dibutoxy.

Sources

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

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