Chemical Properties of 2-propoxy-1-propanol

InChI

InChI=1S/C6H14O2/c1-3-4-8-6(2)5-7/h6-7H,3-5H2,1-2H3

InChI Key

PSKIVCBTSGNKBB-UHFFFAOYSA-N

Formula

C6H14O2

SMILES

CCCOC(C)CO

Molecular Weight¹

118.17

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : 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°	13.05	kJ/mol	Joback Calculated Property
ΔvapH°	58.14	kJ/mol	Relay (1.0) Calculated Property
log10WS	0.22		Relay (1.0) Calculated Property
logPoct/wat	0.794		Crippen Calculated Property
McVol	107.140	ml/mol	McGowan Calculated Property
Inp	[855.60; 855.60]
Inp	855.60		NIST
Inp	855.60		NIST
Ip	[1323.20; 1323.20]
Ip	1323.20		NIST
Ip	1323.20		NIST
Tboil	429.19	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 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	[160.36; 366.58]	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			2.65430e+01
Coefficient B			5.50540e-01
Coefficient C			-2.25200e-04
Coefficient D			1.47000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.36	J/mol×K	273.00	Calculated Property
Cp,gas	193.78	J/mol×K	353.78	Calculated Property
Cp,gas	224.46	J/mol×K	434.56	Calculated Property
Cp,gas	252.46	J/mol×K	515.33	Calculated Property
Cp,gas	277.82	J/mol×K	596.11	Calculated Property
Cp,gas	300.57	J/mol×K	676.89	Calculated Property
Cp,gas	320.78	J/mol×K	757.67	Calculated Property
Cp,gas	338.49	J/mol×K	838.44	Calculated Property
Cp,gas	353.74	J/mol×K	919.22	Calculated Property
Cp,gas	366.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0820702; 0.0002414]	Pa×s	[225.43; 431.01]	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			-1.47208e+01
Coefficient B			2.75490e+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.			225.43
Temperature range, max.			431.01
η	0.0820702	Pa×s	225.43	Calculated Property
η	0.0266616	Pa×s	248.27	Calculated Property
η	0.0104681	Pa×s	271.11	Calculated Property
η	0.0047528	Pa×s	293.96	Calculated Property
η	0.0024181	Pa×s	316.80	Calculated Property
η	0.0013474	Pa×s	339.64	Calculated Property
η	0.0008082	Pa×s	362.48	Calculated Property
η	0.0005150	Pa×s	385.32	Calculated Property
η	0.0003452	Pa×s	408.17	Calculated Property
η	0.0002414	Pa×s	431.01	Calculated Property

Similar Compounds

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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.