Chemical Properties of Propane, 1,1'-[ethylidenebis(oxy)]bis[2-methyl- (CAS 5669-09-0)

InChI

InChI=1S/C10H22O2/c1-8(2)6-11-10(5)12-7-9(3)4/h8-10H,6-7H2,1-5H3

InChI Key

KIELJSVPUISYCI-UHFFFAOYSA-N

Formula

C10H22O2

SMILES

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

Molecular Weight¹

174.28

CAS

5669-09-0

Other Names

• 1,1'-[ethylidenebis(oxy)]bis[2-methylpropane]
• 2,5,8-Trimethyl-4,6-dioxanonane
• Acetaldehyde, diisobutyl acetal
• Diisobutyl acetal
• Ethane, 1,1-diisobutyloxy
• Ethylene glycol diisobutyl ether
• Propane, 1,1'-[ethylidenebis(oxy)]bis*2-methyl-

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-570.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.46	kJ/mol	Joback Calculated Property
ΔvapH°	49.35	kJ/mol	Relay (1.0) Calculated Property
IE	9.53	eV	Relay (1.0) Calculated Property
log10WS	-2.79		Relay (1.0) Calculated Property
logPoct/wat	2.678		Crippen Calculated Property
McVol	163.500	ml/mol	McGowan Calculated Property
Pc	2088.84	kPa	Joback Calculated Property
Inp	[949.00; 999.00]
Inp	949.00		NIST
Inp	959.00		NIST
Inp	999.00		NIST
Inp	999.00		NIST
Ip	[1072.00; 1072.00]
Ip	1072.00		NIST
Ip	1072.00		NIST
Tboil	449.00 ± 4.00	K	NIST
Tc	602.48	K	Relay (1.0) Calculated Property
Tfus	187.17	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[247.48; 573.85]	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			3.97520e+01
Coefficient B			8.45200e-01
Coefficient C			-3.07800e-04
Coefficient D			-3.30000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	247.48	J/mol×K	273.00	Calculated Property
Cp,gas	300.10	J/mol×K	353.78	Calculated Property
Cp,gas	348.64	J/mol×K	434.56	Calculated Property
Cp,gas	393.12	J/mol×K	515.33	Calculated Property
Cp,gas	433.51	J/mol×K	596.11	Calculated Property
Cp,gas	469.81	J/mol×K	676.89	Calculated Property
Cp,gas	502.00	J/mol×K	757.67	Calculated Property
Cp,gas	530.08	J/mol×K	838.44	Calculated Property
Cp,gas	554.03	J/mol×K	919.22	Calculated Property
Cp,gas	573.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0139337; 0.0001701]	Pa×s	[201.92; 451.36]	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			-1.22453e+01
Coefficient B			1.60968e+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.			201.92
Temperature range, max.			451.36
η	0.0139337	Pa×s	201.92	Calculated Property
η	0.0053237	Pa×s	229.64	Calculated Property
η	0.0025024	Pa×s	257.35	Calculated Property
η	0.0013623	Pa×s	285.07	Calculated Property
η	0.0008260	Pa×s	312.78	Calculated Property
η	0.0005433	Pa×s	340.50	Calculated Property
η	0.0003806	Pa×s	368.21	Calculated Property
η	0.0002803	Pa×s	395.93	Calculated Property
η	0.0002148	Pa×s	423.64	Calculated Property
η	0.0001701	Pa×s	451.36	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.16; 202.64]	kPa	[297.98; 562.88]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.16009e+01
Coefficient B			-3.13326e+03
Coefficient C			-6.47070e+01
Temperature range, min.			297.98
Temperature range, max.			562.88
Pvap	0.16	kPa	297.98	Calculated Property
Pvap	0.72	kPa	327.41	Calculated Property
Pvap	2.40	kPa	356.85	Calculated Property
Pvap	6.41	kPa	386.28	Calculated Property
Pvap	14.50	kPa	415.71	Calculated Property
Pvap	28.93	kPa	445.15	Calculated Property
Pvap	52.27	kPa	474.58	Calculated Property
Pvap	87.24	kPa	504.01	Calculated Property
Pvap	136.52	kPa	533.45	Calculated Property
Pvap	202.64	kPa	562.88	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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