Chemical Properties of Propane, 1-(1-methylethoxy)- (CAS 627-08-7)

InChI

InChI=1S/C6H14O/c1-4-5-7-6(2)3/h6H,4-5H2,1-3H3

InChI Key

JIEJJGMNDWIGBJ-UHFFFAOYSA-N

Formula

C6H14O

SMILES

CCCOC(C)C

Molecular Weight¹

102.17

CAS

627-08-7

Other Names

• Ether, isopropyl propyl
• Isopropyl propyl ether
• Propyl isopropyl ether
• Propylisopropylether

• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3408		Relay (1.0) Calculated Property
ΔfG°	-107.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-307.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.96	kJ/mol	Joback Calculated Property
ΔvapH°	33.95	kJ/mol	NIST
IE	9.30	eV	Relay (1.0) Calculated Property
log10WS	[-1.34; -1.34]
log10WS	-1.34		Aq. Solubility Prediction
log10WS	-1.34		Estimated Solubility
logPoct/wat	1.821		Crippen Calculated Property
McVol	101.270	ml/mol	McGowan Calculated Property
Pc	3076.16	kPa	Joback Calculated Property
Inp	[593.00; 613.00]
Inp	609.00		NIST
Inp	613.00		NIST
Inp	593.00		NIST
Inp	593.00		NIST
Ip	[708.00; 708.00]
Ip	708.00		NIST
Ip	708.00		NIST
Tboil	[356.20; 356.20]	K
Tboil	356.20	K	NIST
Tboil	356.20	K	NIST
Tc	511.95	K	Relay (1.0) Calculated Property
Tfus	156.55	K	Relay (1.0) Calculated Property
Vc	0.385	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[147.85; 347.91]	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			2.12520e+01
Coefficient B			5.16560e-01
Coefficient C			-1.94800e-04
Coefficient D			4.90000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	147.85	J/mol×K	273.00	Calculated Property
Cp,gas	179.84	J/mol×K	353.78	Calculated Property
Cp,gas	209.34	J/mol×K	434.56	Calculated Property
Cp,gas	236.39	J/mol×K	515.33	Calculated Property
Cp,gas	261.00	J/mol×K	596.11	Calculated Property
Cp,gas	283.17	J/mol×K	676.89	Calculated Property
Cp,gas	302.94	J/mol×K	757.67	Calculated Property
Cp,gas	320.30	J/mol×K	838.44	Calculated Property
Cp,gas	335.29	J/mol×K	919.22	Calculated Property
Cp,gas	347.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0064749; 0.0001985]	Pa×s	[164.61; 369.14]	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			-1.13293e+01
Coefficient B			1.03531e+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.			164.61
Temperature range, max.			369.14
η	0.0064749	Pa×s	164.61	Calculated Property
η	0.0030191	Pa×s	187.34	Calculated Property
η	0.0016604	Pa×s	210.06	Calculated Property
η	0.0010262	Pa×s	232.79	Calculated Property
η	0.0006910	Pa×s	255.51	Calculated Property
η	0.0004963	Pa×s	278.24	Calculated Property
η	0.0003747	Pa×s	300.97	Calculated Property
η	0.0002943	Pa×s	323.69	Calculated Property
η	0.0002386	Pa×s	346.42	Calculated Property
η	0.0001985	Pa×s	369.14	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[265.30; 378.03]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.53446e+01
Coefficient B			-3.38994e+03
Coefficient C			-4.01600e+01
Temperature range, min.			265.30
Temperature range, max.			378.03
Pvap	1.33	kPa	265.30	Calculated Property
Pvap	2.95	kPa	277.83	Calculated Property
Pvap	6.02	kPa	290.35	Calculated Property
Pvap	11.49	kPa	302.88	Calculated Property
Pvap	20.66	kPa	315.40	Calculated Property
Pvap	35.32	kPa	327.93	Calculated Property
Pvap	57.73	kPa	340.45	Calculated Property
Pvap	90.73	kPa	352.98	Calculated Property
Pvap	137.70	kPa	365.50	Calculated Property
Pvap	202.62	kPa	378.03	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 1-(1-methylethoxy)-.

Sources

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

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