Chemical Properties of Propane, 2-ethoxy- (CAS 625-54-7)

InChI

InChI=1S/C5H12O/c1-4-6-5(2)3/h5H,4H2,1-3H3

InChI Key

XSJVWZAETSBXKU-UHFFFAOYSA-N

Formula

C5H12O

SMILES

CCOC(C)C

Molecular Weight¹

88.15

CAS

625-54-7

Other Names

• (CH3)2CHOC2H5
• 2-Ethoxypropane
• Ether, ethyl isopropyl
• Ethyl isopropyl ether

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (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_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.
• 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
PAff	842.70	kJ/mol	NIST
BasG	813.50	kJ/mol	NIST
ΔfH°gas	-286.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	6.37	kJ/mol	Joback Calculated Property
ΔvapH°	[30.00; 30.32]	kJ/mol
ΔvapH°	30.32	kJ/mol	NIST
ΔvapH°	30.04	kJ/mol	NIST
ΔvapH°	30.00	kJ/mol	NIST
IE	9.38 ± 0.07	eV	NIST
log10WS	-0.55		Aq. Solubility Prediction
logPoct/wat	1.431		Crippen Calculated Property
McVol	87.180	ml/mol	McGowan Calculated Property
Pc	3431.89	kPa	Joback Calculated Property
Inp	[550.00; 555.00]
Inp	550.00		NIST
Inp	555.00		NIST
Inp	555.00		NIST
Inp	550.00		NIST
Tboil	[326.50; 366.90]	K
Tboil	326.50 ± 0.50	K	NIST
Tboil	327.20	K	NIST
Tboil	366.90 ± 2.00	K	NIST
Tc	490.30	K	NIST
Tfus	161.32	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	[126.64; 296.32]	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			2.21610e+01
Coefficient B			4.21560e-01
Coefficient C			-1.40400e-04
Coefficient D			-7.00000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	126.64	J/mol×K	273.00	Calculated Property
Cp,gas	153.42	J/mol×K	353.78	Calculated Property
Cp,gas	178.26	J/mol×K	434.56	Calculated Property
Cp,gas	201.16	J/mol×K	515.33	Calculated Property
Cp,gas	222.08	J/mol×K	596.11	Calculated Property
Cp,gas	241.01	J/mol×K	676.89	Calculated Property
Cp,gas	257.92	J/mol×K	757.67	Calculated Property
Cp,gas	272.79	J/mol×K	838.44	Calculated Property
Cp,gas	285.60	J/mol×K	919.22	Calculated Property
Cp,gas	296.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0058560; 0.0001963]	Pa×s	[153.34; 343.21]	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			-1.12780e+01
Coefficient B			9.41150e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			153.34
Temperature range, max.			343.21
η	0.0058560	Pa×s	153.34	Calculated Property
η	0.0027876	Pa×s	174.44	Calculated Property
η	0.0015574	Pa×s	195.53	Calculated Property
η	0.0009746	Pa×s	216.63	Calculated Property
η	0.0006628	Pa×s	237.73	Calculated Property
η	0.0004800	Pa×s	258.82	Calculated Property
η	0.0003650	Pa×s	279.92	Calculated Property
η	0.0002883	Pa×s	301.02	Calculated Property
η	0.0002349	Pa×s	322.11	Calculated Property
η	0.0001963	Pa×s	343.21	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[241.32; 347.01]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.52698e+01
Coefficient B			-3.13877e+03
Coefficient C			-3.18200e+01
Temperature range, min.			241.32
Temperature range, max.			347.01
Pvap	1.33	kPa	241.32	Calculated Property
Pvap	2.95	kPa	253.06	Calculated Property
Pvap	6.04	kPa	264.81	Calculated Property
Pvap	11.52	kPa	276.55	Calculated Property
Pvap	20.73	kPa	288.29	Calculated Property
Pvap	35.42	kPa	300.04	Calculated Property
Pvap	57.88	kPa	311.78	Calculated Property
Pvap	90.89	kPa	323.52	Calculated Property
Pvap	137.83	kPa	335.27	Calculated Property
Pvap	202.64	kPa	347.01	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 2-ethoxy-.

Sources

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

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