Chemical Properties of Propyl tert-pentyl ether

InChI

InChI=1S/C8H18O/c1-5-7-9-8(3,4)6-2/h5-7H2,1-4H3

InChI Key

LFKBOUUQIPXNTJ-UHFFFAOYSA-N

Formula

C8H18O

SMILES

CCCOC(C)(C)CC

Molecular Weight¹

130.23

Other Names

• 1,1-dimethylpropyl propyl ether
• 2-methyl-2-propoxybutane
• butane, 2-methyl-2-propoxy-
• tert-pentyl propyl ether

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• I_np : Non-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
ΔfH°gas	-364.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.25	kJ/mol	Joback Calculated Property
ΔvapH°	43.18	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.602		Crippen Calculated Property
McVol	129.450	ml/mol	McGowan Calculated Property
Inp	[812.00; 812.00]
Inp	812.00		NIST
Inp	812.00		NIST
Tboil	395.40	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.40; 2.33]	kPa	[274.20; 302.20]
Pvap	0.40	kPa	274.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.44	kPa	276.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.53	kPa	278.10	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.61	kPa	280.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.72	kPa	282.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.79	kPa	284.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.80	kPa	285.10	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	1.00	kPa	287.30	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	1.20	kPa	290.30	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	1.43	kPa	293.30	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	1.80	kPa	296.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	2.07	kPa	299.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	2.33	kPa	302.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[189.14; 452.02]	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			-3.35700e+00
Coefficient B			8.26480e-01
Coefficient C			-4.72200e-04
Coefficient D			1.01100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	189.14	J/mol×K	273.00	Calculated Property
Cp,gas	234.41	J/mol×K	353.78	Calculated Property
Cp,gas	274.92	J/mol×K	434.56	Calculated Property
Cp,gas	310.99	J/mol×K	515.33	Calculated Property
Cp,gas	342.94	J/mol×K	596.11	Calculated Property
Cp,gas	371.08	J/mol×K	676.89	Calculated Property
Cp,gas	395.74	J/mol×K	757.67	Calculated Property
Cp,gas	417.24	J/mol×K	838.44	Calculated Property
Cp,gas	435.89	J/mol×K	919.22	Calculated Property
Cp,gas	452.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0073558; 0.0002365]	Pa×s	[204.57; 403.47]	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			-1.18847e+01
Coefficient B			1.42635e+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.			204.57
Temperature range, max.			403.47
η	0.0073558	Pa×s	204.57	Calculated Property
η	0.0037274	Pa×s	226.67	Calculated Property
η	0.0021312	Pa×s	248.77	Calculated Property
η	0.0013349	Pa×s	270.87	Calculated Property
η	0.0008973	Pa×s	292.97	Calculated Property
η	0.0006377	Pa×s	315.07	Calculated Property
η	0.0004740	Pa×s	337.17	Calculated Property
η	0.0003654	Pa×s	359.27	Calculated Property
η	0.0002903	Pa×s	381.37	Calculated Property
η	0.0002365	Pa×s	403.47	Calculated Property

Similar Compounds

Find more compounds similar to Propyl tert-pentyl ether.

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
• Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
• Thermochemistry of Branched Ethers: Experimental Study of Chemical Equilibrium in the Reacting System of tert-Amyl Alkyl Ether Synthesis
• 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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