Chemical Properties of Isopropyl (1-chloro-1-methylethyl) ether

InChI

InChI=1S/C6H13ClO/c1-5(2)8-6(3,4)7/h5H,1-4H3

InChI Key

YHFGZATYFSSASH-UHFFFAOYSA-N

Formula

C6H13ClO

SMILES

CC(C)OC(C)(C)Cl

Molecular Weight¹

136.62

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-365.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	5.74	kJ/mol	Joback Calculated Property
ΔvapH°	36.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.77	eV	Relay (1.0) Calculated Property
logPoct/wat	2.386		Crippen Calculated Property
McVol	113.510	ml/mol	McGowan Calculated Property
Inp	[798.00; 798.00]
Inp	798.00		NIST
Inp	798.00		NIST
Tboil	369.92	K	Relay (1.0) Calculated Property
Tfus	206.20	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[210.18; 273.16]	J/mol×K	[392.86; 581.45]
Cp,gas	210.18	J/mol×K	392.86	Joback Calculated Property
Cp,gas	222.00	J/mol×K	424.29	Joback Calculated Property
Cp,gas	233.26	J/mol×K	455.72	Joback Calculated Property
Cp,gas	244.00	J/mol×K	487.15	Joback Calculated Property
Cp,gas	254.22	J/mol×K	518.59	Joback Calculated Property
Cp,gas	263.93	J/mol×K	550.02	Joback Calculated Property
Cp,gas	273.16	J/mol×K	581.45	Joback Calculated Property
η	[0.0002793; 0.0109013]	Pa×s	[196.95; 392.86]
η	0.0109013	Pa×s	196.95	Joback Calculated Property
η	0.0038341	Pa×s	229.60	Joback Calculated Property
η	0.0017493	Pa×s	262.25	Joback Calculated Property
η	0.0009495	Pa×s	294.90	Joback Calculated Property
η	0.0005822	Pa×s	327.56	Joback Calculated Property
η	0.0003901	Pa×s	360.21	Joback Calculated Property
η	0.0002793	Pa×s	392.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isopropyl (1-chloro-1-methylethyl) 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
• 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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