Chemical Properties of Propane, 1-ethoxy- (CAS 628-32-0)

InChI

InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3

InChI Key

NVJUHMXYKCUMQA-UHFFFAOYSA-N

Formula

C5H12O

SMILES

CCCOCC

Molecular Weight¹

88.15

CAS

628-32-0

Other Names

• 1-Ethoxypropane
• Ether, ethyl propyl
• Ethyl n-propyl ether
• Ethyl propyl ether
• Propyl ethyl ether
• UN 2615
• n-C3H7OC2H5

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• 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_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_gas : Molar entropy at standard conditions (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3330		KDB
ΔcH°liquid	-3378.97	kJ/mol	NIST
μ	1.20	debye	KDB
ΔfG°	-125.50	kJ/mol	KDB
ΔfH°gas	-272.20 ± 1.20	kJ/mol	NIST
ΔfH°liquid	-303.60 ± 1.20	kJ/mol	NIST
ΔfusH°	9.89	kJ/mol	Joback Calculated Property
ΔvapH°	31.35	kJ/mol	Relay (1.0) Calculated Property
IE	9.50 ± 0.10	eV	NIST
log10WS	[-0.66; -0.66]
log10WS	-0.66		Aq. Solubility Prediction
log10WS	-0.66		Estimated Solubility
logPoct/wat	1.433		Crippen Calculated Property
McVol	87.180	ml/mol	McGowan Calculated Property
Pc	[3250.00; 3370.00]	kPa
Pc	3370.00	kPa	KDB
Pc	3370.00 ± 6.00	kPa	NIST
Pc	3250.00 ± 40.53	kPa	NIST
ρc	260.13 ± 1.76	kg/m3	NIST
Inp	[566.50; 590.00]
Inp	590.00		NIST
Inp	566.50		NIST
Inp	572.10		NIST
S°gas	388.10	J/mol×K	NIST
S°liquid	295.00	J/mol×K	NIST
Tboil	[336.30; 336.80]	K
Tboil	336.36	K	KDB
Tboil	336.80	K	NIST
Tboil	336.30	K	NIST
Tboil	336.40 ± 0.50	K	NIST
Tc	[500.20; 500.60]	K
Tc	500.23	K	KDB
Tc	500.20	K	NIST
Tc	500.23 ± 0.20	K	NIST
Tc	500.60 ± 0.50	K	NIST
Tfus	[145.60; 146.45]	K
Tfus	145.60	K	KDB
Tfus	145.90	K	Aq. Solubility Prediction
Tfus	146.45 ± 0.40	K	NIST
Ttriple	[145.65; 145.65]	K
Ttriple	145.65 ± 0.05	K	NIST
Ttriple	145.65 ± 0.05	K	NIST
Vc	0.339	m3/kmol	KDB
Zc	0.2746780		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[147.90; 196.76]	J/mol×K	[336.42; 500.78]
Cp,gas	147.90	J/mol×K	336.42	Joback Calculated Property
Cp,gas	156.59	J/mol×K	363.81	Joback Calculated Property
Cp,gas	165.06	J/mol×K	391.21	Joback Calculated Property
Cp,gas	173.31	J/mol×K	418.60	Joback Calculated Property
Cp,gas	181.35	J/mol×K	445.99	Joback Calculated Property
Cp,gas	189.17	J/mol×K	473.38	Joback Calculated Property
Cp,gas	196.76	J/mol×K	500.78	Joback Calculated Property
Cp,liquid	[197.20; 197.50]	J/mol×K	[298.15; 298.15]
Cp,liquid	197.20	J/mol×K	298.15	NIST
Cp,liquid	197.50	J/mol×K	298.15	NIST
η	[0.0002120; 0.0030953]	Pa×s	[168.34; 336.42]
η	0.0030953	Pa×s	168.34	Joback Calculated Property
η	0.0014395	Pa×s	196.35	Joback Calculated Property
η	0.0008105	Pa×s	224.37	Joback Calculated Property
η	0.0005184	Pa×s	252.38	Joback Calculated Property
η	0.0003626	Pa×s	280.39	Joback Calculated Property
η	0.0002706	Pa×s	308.41	Joback Calculated Property
η	0.0002120	Pa×s	336.42	Joback Calculated Property
ΔfusH	[8.39; 8.39]	kJ/mol	[145.65; 145.70]
ΔfusH	8.39	kJ/mol	145.65	NIST
ΔfusH	8.39	kJ/mol	145.65	NIST
ΔfusH	8.39	kJ/mol	145.70	NIST
ΔfusH	8.39	kJ/mol	145.70	NIST
ΔvapH	[28.94; 33.00]	kJ/mol	[311.50; 336.30]
ΔvapH	33.00	kJ/mol	311.50	NIST
ΔvapH	29.00	kJ/mol	311.50	NIST
ΔvapH	31.60	kJ/mol	314.00	NIST
ΔvapH	28.94	kJ/mol	336.30	NIST
ρl	733.00	kg/m3	293.00	KDB
ΔfusS	[57.64; 57.64]	J/mol×K	[145.65; 145.65]
ΔfusS	57.64	J/mol×K	145.65	NIST
ΔfusS	57.64	J/mol×K	145.65	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[250.01; 357.64]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53548e+01
Coefficient B			-3.24200e+03
Coefficient C			-3.48390e+01
Temperature range, min.			250.01
Temperature range, max.			357.64
Pvap	1.33	kPa	250.01	Calculated Property
Pvap	2.95	kPa	261.97	Calculated Property
Pvap	6.02	kPa	273.93	Calculated Property
Pvap	11.48	kPa	285.89	Calculated Property
Pvap	20.66	kPa	297.85	Calculated Property
Pvap	35.31	kPa	309.80	Calculated Property
Pvap	57.72	kPa	321.76	Calculated Property
Pvap	90.72	kPa	333.72	Calculated Property
Pvap	137.70	kPa	345.68	Calculated Property
Pvap	202.65	kPa	357.64	Calculated Property
Pvap	[7.50e-07; 3410.31]	kPa	[145.65; 500.23]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.32471e+02
Coefficient B			-8.24837e+03
Coefficient C			-1.81397e+01
Coefficient D			1.95507e-05
Temperature range, min.			145.65
Temperature range, max.			500.23
Pvap	7.50e-07	kPa	145.65	Calculated Property
Pvap	2.17e-03	kPa	185.05	Calculated Property
Pvap	0.22	kPa	224.45	Calculated Property
Pvap	4.20	kPa	263.84	Calculated Property
Pvap	30.21	kPa	303.24	Calculated Property
Pvap	123.68	kPa	342.64	Calculated Property
Pvap	359.27	kPa	382.04	Calculated Property
Pvap	846.38	kPa	421.43	Calculated Property
Pvap	1759.30	kPa	460.83	Calculated Property
Pvap	3410.31	kPa	500.23	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 1-ethoxy-.

Sources

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

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