Chemical Properties of BUTANAL, 4-[(TETRAHYDRO-2H-PYRAN-2-YL)OXY]-

InChI

InChI=1S/C9H16O3/c10-6-2-4-8-12-9-5-1-3-7-11-9/h6,9H,1-5,7-8H2

InChI Key

UWMPHMYUITTYTD-UHFFFAOYSA-N

Formula

C9H16O3

SMILES

O=CCCCOC1CCCCO1

Molecular Weight¹

172.22

Other Names

• 4-(2-Tetrahydropyranyloxy)butanal

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.36	kJ/mol	Joback Calculated Property
ΔvapH°	61.06	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.509		Crippen Calculated Property
McVol	140.120	ml/mol	McGowan Calculated Property
Inp	[1322.00; 1322.00]
Inp	1322.00		NIST
Inp	1322.00		NIST
Tboil	513.68	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[195.96; 497.52]	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			-1.66770e+01
Coefficient B			8.89200e-01
Coefficient C			-4.14900e-04
Coefficient D			3.99000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.96	J/mol×K	273.00	Calculated Property
Cp,gas	247.74	J/mol×K	353.78	Calculated Property
Cp,gas	294.65	J/mol×K	434.56	Calculated Property
Cp,gas	336.83	J/mol×K	515.33	Calculated Property
Cp,gas	374.40	J/mol×K	596.11	Calculated Property
Cp,gas	407.49	J/mol×K	676.89	Calculated Property
Cp,gas	436.22	J/mol×K	757.67	Calculated Property
Cp,gas	460.72	J/mol×K	838.44	Calculated Property
Cp,gas	481.11	J/mol×K	919.22	Calculated Property
Cp,gas	497.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047923; 0.0003188]	Pa×s	[289.37; 507.68]	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			-1.16432e+01
Coefficient B			1.82374e+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.			289.37
Temperature range, max.			507.68
η	0.0047923	Pa×s	289.37	Calculated Property
η	0.0029434	Pa×s	313.63	Calculated Property
η	0.0019389	Pa×s	337.88	Calculated Property
η	0.0013506	Pa×s	362.14	Calculated Property
η	0.0009845	Pa×s	386.40	Calculated Property
η	0.0007450	Pa×s	410.65	Calculated Property
η	0.0005815	Pa×s	434.91	Calculated Property
η	0.0004660	Pa×s	459.17	Calculated Property
η	0.0003818	Pa×s	483.42	Calculated Property
η	0.0003188	Pa×s	507.68	Calculated Property

Similar Compounds

Find more compounds similar to BUTANAL, 4-[(TETRAHYDRO-2H-PYRAN-2-YL)OXY]-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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