Chemical Properties of 2-Propanol, 1-(2-methoxypropoxy)- (CAS 13429-07-7)

InChI

InChI=1S/C7H16O3/c1-6(8)4-10-5-7(2)9-3/h6-8H,4-5H2,1-3H3

InChI Key

FOLPKOWCPVGUCA-UHFFFAOYSA-N

Formula

C7H16O3

SMILES

COC(C)COCC(C)O

Molecular Weight¹

148.20

CAS

13429-07-7

Other Names

• 1-(2-Methoxypropoxy)-2-propanol
• 1-(2-Methoxypropoxy)-propan-2-ol
• 34590-94-8
• 1-(2-methoxypropyl)-2-propanol

• 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).
• P_c : Critical Pressure (kPa).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	13.30	kJ/mol	Joback Calculated Property
ΔvapH°	63.03	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	0.419		Crippen Calculated Property
McVol	127.100	ml/mol	McGowan Calculated Property
Pc	3032.27	kPa	Joback Calculated Property
I	[1509.00; 1541.00]
I	1532.00		NIST
I	1509.00		NIST
I	1541.00		NIST
Tboil	471.47	K	Relay (1.0) Calculated Property
Tc	635.07	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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	[196.66; 437.21]	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			4.94520e+01
Coefficient B			5.88260e-01
Coefficient C			-1.71800e-04
Coefficient D			-2.87000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	196.66	J/mol×K	273.00	Calculated Property
Cp,gas	234.79	J/mol×K	353.78	Calculated Property
Cp,gas	270.29	J/mol×K	434.56	Calculated Property
Cp,gas	303.05	J/mol×K	515.33	Calculated Property
Cp,gas	332.99	J/mol×K	596.11	Calculated Property
Cp,gas	360.02	J/mol×K	676.89	Calculated Property
Cp,gas	384.05	J/mol×K	757.67	Calculated Property
Cp,gas	404.99	J/mol×K	838.44	Calculated Property
Cp,gas	422.74	J/mol×K	919.22	Calculated Property
Cp,gas	437.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0562449; 0.0001620]	Pa×s	[243.93; 463.94]	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			-1.52134e+01
Coefficient B			3.00897e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			243.93
Temperature range, max.			463.94
η	0.0562449	Pa×s	243.93	Calculated Property
η	0.0182853	Pa×s	268.38	Calculated Property
η	0.0071713	Pa×s	292.82	Calculated Property
η	0.0032489	Pa×s	317.27	Calculated Property
η	0.0016485	Pa×s	341.71	Calculated Property
η	0.0009157	Pa×s	366.16	Calculated Property
η	0.0005475	Pa×s	390.61	Calculated Property
η	0.0003478	Pa×s	415.05	Calculated Property
η	0.0002324	Pa×s	439.50	Calculated Property
η	0.0001620	Pa×s	463.94	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanol, 1-(2-methoxypropoxy)-.

Sources

• Cheméo Relay (1.0)
• 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.
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