Chemical Properties of Pentane, 3-ethoxy-

InChI

InChI=1S/C7H16O/c1-4-7(5-2)8-6-3/h7H,4-6H2,1-3H3

InChI Key

BMAINLNHNVARHJ-UHFFFAOYSA-N

Formula

C7H16O

SMILES

CCOC(CC)CC

Molecular Weight¹

116.20

• 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).
• 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).
• 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
ΔfH°gas	-311.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.55	kJ/mol	Joback Calculated Property
ΔvapH°	40.48	kJ/mol	Relay (1.0) Calculated Property
IE	9.16	eV	Relay (1.0) Calculated Property
log10WS	-1.38		Relay (1.0) Calculated Property
logPoct/wat	2.212		Crippen Calculated Property
McVol	115.360	ml/mol	McGowan Calculated Property
Pc	2773.00	kPa	Joback Calculated Property
Inp	[773.00; 773.00]
Inp	773.00		NIST
Inp	773.00		NIST
Tboil	378.88	K	Relay (1.0) Calculated Property
Tc	547.57	K	Relay (1.0) Calculated Property
Tfus	174.12	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[169.07; 399.50]	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			2.03430e+01
Coefficient B			6.11560e-01
Coefficient C			-2.49200e-04
Coefficient D			1.68000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	169.07	J/mol×K	273.00	Calculated Property
Cp,gas	206.25	J/mol×K	353.78	Calculated Property
Cp,gas	240.42	J/mol×K	434.56	Calculated Property
Cp,gas	271.62	J/mol×K	515.33	Calculated Property
Cp,gas	299.91	J/mol×K	596.11	Calculated Property
Cp,gas	325.33	J/mol×K	676.89	Calculated Property
Cp,gas	347.95	J/mol×K	757.67	Calculated Property
Cp,gas	367.82	J/mol×K	838.44	Calculated Property
Cp,gas	384.98	J/mol×K	919.22	Calculated Property
Cp,gas	399.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0068890; 0.0002105]	Pa×s	[175.88; 384.99]	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			-1.13997e+01
Coefficient B			1.12947e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			175.88
Temperature range, max.			384.99
η	0.0068890	Pa×s	175.88	Calculated Property
η	0.0032563	Pa×s	199.11	Calculated Property
η	0.0018001	Pa×s	222.35	Calculated Property
η	0.0011132	Pa×s	245.58	Calculated Property
η	0.0007481	Pa×s	268.82	Calculated Property
η	0.0005355	Pa×s	292.05	Calculated Property
η	0.0004027	Pa×s	315.28	Calculated Property
η	0.0003149	Pa×s	338.52	Calculated Property
η	0.0002542	Pa×s	361.75	Calculated Property
η	0.0002105	Pa×s	384.99	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 3-ethoxy-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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