Chemical Properties of Pentyl tert-octyl ether (CAS 508181-43-9)

InChI

InChI=1S/C13H28O/c1-7-8-9-10-14-13(5,6)11-12(2,3)4/h7-11H2,1-6H3

InChI Key

ZNFVRHLUNVCECG-UHFFFAOYSA-N

Formula

C13H28O

SMILES

CCCCCOC(C)(C)CC(C)(C)C

Molecular Weight¹

200.36

CAS

508181-43-9

Other Names

• pentane, 2-pentoxy-2,4,4-trimethyl-

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• 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

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Pvap	[3.70e-03; 0.03]	kPa	[277.50; 303.20]
Pvap	3.70e-03	kPa	277.50	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	4.40e-03	kPa	279.50	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	5.20e-03	kPa	281.50	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	6.20e-03	kPa	283.50	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	7.30e-03	kPa	285.60	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	9.50e-03	kPa	288.60	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.01	kPa	291.60	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.02	kPa	294.70	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.02	kPa	297.70	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.02	kPa	300.70	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.03	kPa	303.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[293.75; 711.44]	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			-3.23750e+01
Coefficient B			1.42732e+00
Coefficient C			-9.16000e-04
Coefficient D			2.32500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	293.75	J/mol×K	273.00	Calculated Property
Cp,gas	368.23	J/mol×K	353.78	Calculated Property
Cp,gas	433.98	J/mol×K	434.56	Calculated Property
Cp,gas	491.73	J/mol×K	515.33	Calculated Property
Cp,gas	542.22	J/mol×K	596.11	Calculated Property
Cp,gas	586.18	J/mol×K	676.89	Calculated Property
Cp,gas	624.34	J/mol×K	757.67	Calculated Property
Cp,gas	657.46	J/mol×K	838.44	Calculated Property
Cp,gas	686.24	J/mol×K	919.22	Calculated Property
Cp,gas	711.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0077099; 0.0001907]	Pa×s	[263.34; 483.85]	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			-1.29829e+01
Coefficient B			2.13769e+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.			263.34
Temperature range, max.			483.85
η	0.0077099	Pa×s	263.34	Calculated Property
η	0.0038633	Pa×s	287.84	Calculated Property
η	0.0021575	Pa×s	312.34	Calculated Property
η	0.0013114	Pa×s	336.84	Calculated Property
η	0.0008528	Pa×s	361.35	Calculated Property
η	0.0005858	Pa×s	385.85	Calculated Property
η	0.0004208	Pa×s	410.35	Calculated Property
η	0.0003137	Pa×s	434.85	Calculated Property
η	0.0002414	Pa×s	459.35	Calculated Property
η	0.0001907	Pa×s	483.85	Calculated Property

Similar Compounds

Find more compounds similar to Pentyl tert-octyl ether.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
• Joback Method
• McGowan Method
• NIST Webbook

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