Chemical Properties of 2-Butoxy-1-propanol (CAS 29387-86-8)

InChI

InChI=1S/C7H16O2/c1-3-4-5-9-7(2)6-8/h7-8H,3-6H2,1-2H3

InChI Key

WGKZYJXRTIPTCV-UHFFFAOYSA-N

Formula

C7H16O2

SMILES

CCCCOC(C)CO

Molecular Weight¹

132.20

CAS

29387-86-8

Other Names

• Butoxypropanol
• 2-Butoxypropanol
• butoxypropan-1-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• I_p : 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
ΔfH°gas	-488.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.64	kJ/mol	Joback Calculated Property
ΔvapH°	62.72	kJ/mol	Relay (1.0) Calculated Property
IE	9.86	eV	Relay (1.0) Calculated Property
log10WS	-0.25		Relay (1.0) Calculated Property
logPoct/wat	1.184		Crippen Calculated Property
McVol	121.230	ml/mol	McGowan Calculated Property
Pc	3062.55	kPa	Joback Calculated Property
Inp	[934.00; 951.00]
Inp	951.00		NIST
Inp	934.00		NIST
Inp	951.00		NIST
Inp	934.00		NIST
Ip	[1350.00; 1422.20]
Ip	1422.20		NIST
Ip	1350.00		NIST
Ip	1350.00		NIST
Tboil	447.91	K	Relay (1.0) Calculated Property
Tc	625.69	K	Relay (1.0) Calculated Property
Tfus	208.54	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[181.57; 418.17]	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			2.56340e+01
Coefficient B			6.45540e-01
Coefficient C			-2.79600e-04
Coefficient D			2.66000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.57	J/mol×K	273.00	Calculated Property
Cp,gas	220.20	J/mol×K	353.78	Calculated Property
Cp,gas	255.54	J/mol×K	434.56	Calculated Property
Cp,gas	287.69	J/mol×K	515.33	Calculated Property
Cp,gas	316.73	J/mol×K	596.11	Calculated Property
Cp,gas	342.74	J/mol×K	676.89	Calculated Property
Cp,gas	365.80	J/mol×K	757.67	Calculated Property
Cp,gas	386.01	J/mol×K	838.44	Calculated Property
Cp,gas	403.44	J/mol×K	919.22	Calculated Property
Cp,gas	418.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0625947; 0.0002192]	Pa×s	[236.70; 446.40]	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			-1.48077e+01
Coefficient B			2.84906e+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.			236.70
Temperature range, max.			446.40
η	0.0625947	Pa×s	236.70	Calculated Property
η	0.0212850	Pa×s	260.00	Calculated Property
η	0.0086430	Pa×s	283.30	Calculated Property
η	0.0040249	Pa×s	306.60	Calculated Property
η	0.0020880	Pa×s	329.90	Calculated Property
η	0.0011811	Pa×s	353.20	Calculated Property
η	0.0007170	Pa×s	376.50	Calculated Property
η	0.0004613	Pa×s	399.80	Calculated Property
η	0.0003116	Pa×s	423.10	Calculated Property
η	0.0002192	Pa×s	446.40	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butoxy-1-propanol.

Sources

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

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