Propane, 1-(1,1-dimethylethoxy)-2-methyl- (CAS 33021-02-2)

InChI

InChI=1S/C8H18O/c1-7(2)6-9-8(3,4)5/h7H,6H2,1-5H3

InChI Key

UPOMCDPCTBJJDA-UHFFFAOYSA-N

Formula

C8H18O

SMILES

CC(C)COC(C)(C)C

Molecular Weight¹

130.23

CAS

33021-02-2

Other Names

1-(1,1-dimethylethoxy)-2-methylpropane
1-isobutoxy-1,1-dimethylethane
1-tert-Butoxy-2-methylpropane
2,2,5-trimethyl-3-oxahexane
2-methylpropyl 1,1-dimethylethyl ether
ethane, 1-isobutoxy-1,1-dimethyl-
ether, isobutyl tert-butyl
ether, tert-butyl isobutyl
isobutyl tert-butyl ether
tert-butyl isobutyl ether

Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
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_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
Δ_vapH : Enthalpy of vaporization at a given temperature (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).
I_np : Non-polar retention indices.
T_boil : Normal Boiling Point Temperature (K).
T_fus : Normal melting (fusion) point (K).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
Δ_cH°_liquid	[-5311.50; -5311.50]	kJ/mol
Δ_cH°_liquid	-5311.50 ± 2.00	kJ/mol	NIST
Δ_cH°_liquid	-5311.50 ± 1.20	kJ/mol	NIST
Δ_fH°_gas	[-369.00; -368.20]	kJ/mol
Δ_fH°_gas	-368.20 ± 2.00	kJ/mol	NIST
Δ_fH°_gas	-369.00 ± 1.60	kJ/mol	NIST
Δ_fH°_liquid	[-409.10; -409.10]	kJ/mol
Δ_fH°_liquid	-409.10 ± 2.00	kJ/mol	NIST
Δ_fH°_liquid	-409.10 ± 1.60	kJ/mol	NIST
Δ_fusH°	8.65	kJ/mol	The low-temperature heat capacity and ideal gas thermodynamic properties of isobutyl tert-butyl ether
Δ_vapH°	37.84	kJ/mol	Relay (1.0) Calculated Property
IE	9.18	eV	Relay (1.0) Calculated Property
logP_oct/wat	2.458		Crippen Calculated Property
McVol	129.450	ml/mol	McGowan Calculated Property
P_c	2561.10	kPa	Joback Calculated Property
I_np	[748.80; 763.00]
I_np	750.20		NIST
I_np	748.80		NIST
I_np	763.00		NIST
T_boil	385.20	K	NIST
T_fus	177.90	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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
C_p,gas	[258.89; 337.34]	J/mol×K	[401.19; 579.71]

C_p,gas	258.89	J/mol×K	401.19	Joback Calculated Property
C_p,gas	273.44	J/mol×K	430.94	Joback Calculated Property
C_p,gas	287.38	J/mol×K	460.70	Joback Calculated Property
C_p,gas	300.73	J/mol×K	490.45	Joback Calculated Property
C_p,gas	313.49	J/mol×K	520.20	Joback Calculated Property
C_p,gas	325.69	J/mol×K	549.95	Joback Calculated Property
C_p,gas	337.34	J/mol×K	579.71	Joback Calculated Property
η	[0.0002319; 0.0136359]	Pa×s	[189.57; 401.19]

η	0.0136359	Pa×s	189.57	Joback Calculated Property
η	0.0040597	Pa×s	224.84	Joback Calculated Property
η	0.0016788	Pa×s	260.11	Joback Calculated Property
η	0.0008572	Pa×s	295.38	Joback Calculated Property
η	0.0005052	Pa×s	330.65	Joback Calculated Property
η	0.0003297	Pa×s	365.92	Joback Calculated Property
η	0.0002319	Pa×s	401.19	Joback Calculated Property
Δ_fusH	8.65	kJ/mol	162.30	NIST
Δ_vapH	33.11	kJ/mol	385.20	NIST
P_vap	[0.68; 99.60]	kPa	[273.30; 385.45]

P_vap	0.68	kPa	273.30	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
P_vap	0.75	kPa	275.40	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
P_vap	0.80	kPa	276.40	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
P_vap	0.90	kPa	278.50	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
P_vap	0.94	kPa	278.60	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
P_vap	0.98	kPa	280.40	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
P_vap	1.21	kPa	282.50	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
P_vap	1.36	kPa	283.50	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
P_vap	1.40	kPa	284.60	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
P_vap	1.66	kPa	287.60	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
P_vap	1.77	kPa	288.40	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
P_vap	2.00	kPa	290.60	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
P_vap	2.35	kPa	293.40	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
P_vap	2.44	kPa	293.60	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
P_vap	2.69	kPa	295.60	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
P_vap	3.19	kPa	298.40	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
P_vap	3.15	kPa	298.70	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
P_vap	3.72	kPa	301.80	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
P_vap	4.03	kPa	303.40	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
P_vap	4.45	kPa	304.80	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
P_vap	5.22	kPa	308.40	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
P_vap	6.23	kPa	310.61	The thermodynamics of vaporization of ethyl tert-butyl ether, isobutyl tert-butyl ether, and di-isopropyl ether
P_vap	8.43	kPa	317.06	The thermodynamics of vaporization of ethyl tert-butyl ether, isobutyl tert-butyl ether, and di-isopropyl ether
P_vap	10.80	kPa	322.60	The thermodynamics of vaporization of ethyl tert-butyl ether, isobutyl tert-butyl ether, and di-isopropyl ether
P_vap	13.43	kPa	327.65	The thermodynamics of vaporization of ethyl tert-butyl ether, isobutyl tert-butyl ether, and di-isopropyl ether
P_vap	16.83	kPa	333.13	The thermodynamics of vaporization of ethyl tert-butyl ether, isobutyl tert-butyl ether, and di-isopropyl ether
P_vap	20.88	kPa	338.55	The thermodynamics of vaporization of ethyl tert-butyl ether, isobutyl tert-butyl ether, and di-isopropyl ether
P_vap	25.07	kPa	343.33	The thermodynamics of vaporization of ethyl tert-butyl ether, isobutyl tert-butyl ether, and di-isopropyl ether
P_vap	30.91	kPa	349.00	The thermodynamics of vaporization of ethyl tert-butyl ether, isobutyl tert-butyl ether, and di-isopropyl ether
P_vap	37.26	kPa	354.26	The thermodynamics of vaporization of ethyl tert-butyl ether, isobutyl tert-butyl ether, and di-isopropyl ether
P_vap	45.83	kPa	360.31	The thermodynamics of vaporization of ethyl tert-butyl ether, isobutyl tert-butyl ether, and di-isopropyl ether
P_vap	56.12	kPa	366.48	The thermodynamics of vaporization of ethyl tert-butyl ether, isobutyl tert-butyl ether, and di-isopropyl ether
P_vap	67.49	kPa	372.35	The thermodynamics of vaporization of ethyl tert-butyl ether, isobutyl tert-butyl ether, and di-isopropyl ether
P_vap	81.57	kPa	378.59	The thermodynamics of vaporization of ethyl tert-butyl ether, isobutyl tert-butyl ether, and di-isopropyl ether
P_vap	93.18	kPa	383.13	The thermodynamics of vaporization of ethyl tert-butyl ether, isobutyl tert-butyl ether, and di-isopropyl ether
P_vap	95.31	kPa	383.92	The thermodynamics of vaporization of ethyl tert-butyl ether, isobutyl tert-butyl ether, and di-isopropyl ether
P_vap	97.44	kPa	384.69	The thermodynamics of vaporization of ethyl tert-butyl ether, isobutyl tert-butyl ether, and di-isopropyl ether
P_vap	99.60	kPa	385.45	The thermodynamics of vaporization of ethyl tert-butyl ether, isobutyl tert-butyl ether, and di-isopropyl ether

Correlations

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.64]	kPa	[304.00; 441.41]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44611e+01
Coefficient B			-3.54707e+03
Coefficient C			-5.37400e+01
Temperature range, min.			304.00
Temperature range, max.			441.41

P_vap	1.33	kPa	304.00	Calculated Property
P_vap	3.01	kPa	319.27	Calculated Property
P_vap	6.23	kPa	334.54	Calculated Property
P_vap	11.95	kPa	349.80	Calculated Property
P_vap	21.50	kPa	365.07	Calculated Property
P_vap	36.62	kPa	380.34	Calculated Property
P_vap	59.47	kPa	395.61	Calculated Property
P_vap	92.68	kPa	410.87	Calculated Property
P_vap	139.25	kPa	426.14	Calculated Property
P_vap	202.64	kPa	441.41	Calculated Property

Similar Compounds

Propanenitrile, 2-methyl-3-(1-methylethyloxy).

Find more compounds similar to Propane, 1-(1,1-dimethylethoxy)-2-methyl-.

Sources

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Chemical Properties of Propane, 1-(1,1-dimethylethoxy)-2-methyl- (CAS 33021-02-2)

Physical Properties

Temperature Dependent Properties

Correlations

Similar Compounds

Sources