Chemical Properties of Butanal, 4-[(tetrahydro-2H-pyran-2-yl)oxy]- (CAS 54911-85-2)

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

CAS

54911-85-2

Other Names

• 4-(2-Tetrahydropyranyloxy)butanal

• 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).
• 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
ΔfG°	-241.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-524.57	kJ/mol	Joback Calculated Property
ΔfusH°	22.36	kJ/mol	Joback Calculated Property
ΔvapH°	49.70	kJ/mol	Joback Calculated Property
log10WS	-1.55		Crippen Calculated Property
logPoct/wat	1.509		Crippen Calculated Property
McVol	140.120	ml/mol	McGowan Calculated Property
Pc	2989.32	kPa	Joback Calculated Property
Inp	[1322.00; 1322.00]
Inp	1322.00		NIST
Inp	1322.00		NIST
Tboil	522.90	K	Joback Calculated Property
Tc	724.98	K	Joback Calculated Property
Tfus	289.37	K	Joback Calculated Property
Vc	0.528	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[340.55; 425.11]	J/mol×K	[522.90; 724.98]
Cp,gas	340.55	J/mol×K	522.90	Joback Calculated Property
Cp,gas	356.58	J/mol×K	556.58	Joback Calculated Property
Cp,gas	371.83	J/mol×K	590.26	Joback Calculated Property
Cp,gas	386.30	J/mol×K	623.94	Joback Calculated Property
Cp,gas	400.00	J/mol×K	657.62	Joback Calculated Property
Cp,gas	412.93	J/mol×K	691.30	Joback Calculated Property
Cp,gas	425.11	J/mol×K	724.98	Joback Calculated Property
η	[0.0002872; 0.0047923]	Pa×s	[289.37; 522.90]
η	0.0047923	Pa×s	289.37	Joback Calculated Property
η	0.0022700	Pa×s	328.29	Joback Calculated Property
η	0.0012598	Pa×s	367.21	Joback Calculated Property
η	0.0007827	Pa×s	406.13	Joback Calculated Property
η	0.0005285	Pa×s	445.06	Joback Calculated Property
η	0.0003801	Pa×s	483.98	Joback Calculated Property
η	0.0002872	Pa×s	522.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanal, 4-[(tetrahydro-2H-pyran-2-yl)oxy]-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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