Chemical Properties of Propane, 1,1'-[methylenebis(oxy)]bis[2-methyl- (CAS 2568-91-4)

InChI

InChI=1S/C9H20O2/c1-8(2)5-10-7-11-6-9(3)4/h8-9H,5-7H2,1-4H3

InChI Key

LVRIOILOUAJGGN-UHFFFAOYSA-N

Formula

C9H20O2

SMILES

CC(C)COCOCC(C)C

Molecular Weight¹

160.25

CAS

2568-91-4

Other Names

• Methane, diisobutoxy-
• Diisobutyloxymethane
• Propane, 1,1'-[methylenebis(oxy)]bis*2-methyl-
• Diisobutoxymethane
• Methane, diisobutyloxy
• Propane, 2-methyl-1-[(2-methylpropoxy)methoxy]-

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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	-515.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.40	kJ/mol	Joback Calculated Property
ΔvapH°	46.41	kJ/mol	Relay (1.0) Calculated Property
IE	9.62	eV	Relay (1.0) Calculated Property
logPoct/wat	2.289		Crippen Calculated Property
McVol	149.410	ml/mol	McGowan Calculated Property
Inp	[930.00; 944.00]
Inp	930.00		NIST
Inp	944.00		NIST
Inp	930.00		NIST
Tboil	434.45	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, 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	[226.59; 521.72]	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			4.23430e+01
Coefficient B			7.44280e-01
Coefficient C			-2.50200e-04
Coefficient D			-1.47000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	226.59	J/mol×K	273.00	Calculated Property
Cp,gas	273.69	J/mol×K	353.78	Calculated Property
Cp,gas	317.32	J/mol×K	434.56	Calculated Property
Cp,gas	357.44	J/mol×K	515.33	Calculated Property
Cp,gas	393.99	J/mol×K	596.11	Calculated Property
Cp,gas	426.94	J/mol×K	676.89	Calculated Property
Cp,gas	456.24	J/mol×K	757.67	Calculated Property
Cp,gas	481.83	J/mol×K	838.44	Calculated Property
Cp,gas	503.67	J/mol×K	919.22	Calculated Property
Cp,gas	521.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0081421; 0.0001857]	Pa×s	[205.65; 433.98]	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			-1.19962e+01
Coefficient B			1.47770e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			205.65
Temperature range, max.			433.98
η	0.0081421	Pa×s	205.65	Calculated Property
η	0.0036986	Pa×s	231.02	Calculated Property
η	0.0019640	Pa×s	256.39	Calculated Property
η	0.0011689	Pa×s	281.76	Calculated Property
η	0.0007579	Pa×s	307.13	Calculated Property
η	0.0005250	Pa×s	332.50	Calculated Property
η	0.0003831	Pa×s	357.87	Calculated Property
η	0.0002915	Pa×s	383.24	Calculated Property
η	0.0002294	Pa×s	408.61	Calculated Property
η	0.0001857	Pa×s	433.98	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 1,1'-[methylenebis(oxy)]bis[2-methyl-.

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

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