Chemical Properties of 1-Butanol, 4-[(tetrahydro-2H-pyran-2-yl)oxy]- (CAS 51326-51-3)

InChI

InChI=1S/C9H18O3/c10-6-2-4-8-12-9-5-1-3-7-11-9/h9-10H,1-8H2

InChI Key

MAASHSYTIKTSSQ-UHFFFAOYSA-N

Formula

C9H18O3

SMILES

OCCCCOC1CCCCO1

Molecular Weight¹

174.24

CAS

51326-51-3

Other Names

• 4-(2-Tetrahydropyranyloxy)butan-1-ol

• 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.
• I : 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°	-278.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-591.22	kJ/mol	Joback Calculated Property
ΔfusH°	24.16	kJ/mol	Joback Calculated Property
ΔvapH°	59.66	kJ/mol	Joback Calculated Property
log10WS	-1.53		Crippen Calculated Property
logPoct/wat	1.302		Crippen Calculated Property
McVol	144.420	ml/mol	McGowan Calculated Property
Pc	3049.04	kPa	Joback Calculated Property
Inp	[1395.00; 1395.00]
Inp	1395.00		NIST
Inp	1395.00		NIST
I	[1465.00; 1465.00]
I	1465.00		NIST
I	1465.00		NIST
Tboil	566.42	K	Joback Calculated Property
Tc	752.93	K	Joback Calculated Property
Tfus	308.19	K	Joback Calculated Property
Vc	0.530	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[378.88; 457.22]	J/mol×K	[566.42; 752.93]
Cp,gas	378.88	J/mol×K	566.42	Joback Calculated Property
Cp,gas	393.64	J/mol×K	597.50	Joback Calculated Property
Cp,gas	407.71	J/mol×K	628.59	Joback Calculated Property
Cp,gas	421.09	J/mol×K	659.67	Joback Calculated Property
Cp,gas	433.80	J/mol×K	690.76	Joback Calculated Property
Cp,gas	445.84	J/mol×K	721.84	Joback Calculated Property
Cp,gas	457.22	J/mol×K	752.93	Joback Calculated Property
η	[0.0000953; 0.0135363]	Pa×s	[308.19; 566.42]
η	0.0135363	Pa×s	308.19	Joback Calculated Property
η	0.0035720	Pa×s	351.23	Joback Calculated Property
η	0.0012608	Pa×s	394.27	Joback Calculated Property
η	0.0005463	Pa×s	437.30	Joback Calculated Property
η	0.0002749	Pa×s	480.34	Joback Calculated Property
η	0.0001549	Pa×s	523.38	Joback Calculated Property
η	0.0000953	Pa×s	566.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Butanol, 4-[(tetrahydro-2H-pyran-2-yl)oxy]-.

Sources

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

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