Chemical Properties of Propane, 2-methoxy- (CAS 598-53-8)

InChI

InChI=1S/C4H10O/c1-4(2)5-3/h4H,1-3H3

InChI Key

RMGHERXMTMUMMV-UHFFFAOYSA-N

Formula

C4H10O

SMILES

COC(C)C

Molecular Weight¹

74.12

CAS

598-53-8

Other Names

• 2-METHOXYPROPANE
• Ether, isopropyl methyl
• ISOPROPYL METHYL ETHER
• Isopryl
• Methyl isopropyl ether
• i-C3H7OCH3

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_gas : Standard gas 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).
• 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_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_l : Liquid Density (kg/m³).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2660		KDB
PAff	826.30	kJ/mol	NIST
BasG	797.10	kJ/mol	NIST
ΔcH°gas	-2751.10 ± 0.92	kJ/mol	NIST
ΔfG°	-121.00	kJ/mol	KDB
ΔfH°gas	[-252.20; -252.00]	kJ/mol
ΔfH°gas	-252.20	kJ/mol	KDB
ΔfH°gas	-252.00 ± 0.96	kJ/mol	NIST
ΔfusH°	3.78	kJ/mol	Joback Calculated Property
ΔvapH°	[26.40; 26.78]	kJ/mol
ΔvapH°	26.78	kJ/mol	NIST
ΔvapH°	26.41	kJ/mol	NIST
ΔvapH°	26.40 ± 0.10	kJ/mol	NIST
ΔvapH°	26.40	kJ/mol	NIST
IE	[9.42; 9.50]	eV
IE	9.45 ± 0.04	eV	NIST
IE	9.50	eV	NIST
IE	9.42 ± 0.07	eV	NIST
IE	9.42	eV	NIST
log10WS	-0.06		Aq. Sol...
logPoct/wat	1.041		Crippen Calculated Property
McVol	73.090	ml/mol	McGowan Calculated Property
Pc	[3762.00; 3762.00]	kPa
Pc	3762.00	kPa	KDB
Pc	3762.00 ± 4.00	kPa	NIST
S°gas	341.60	J/mol×K	NIST
S°liquid	253.70	J/mol×K	NIST
Tboil	[303.90; 303.92]	K
Tboil	303.92	K	KDB
Tboil	303.90	K	NIST
Tc	[464.48; 464.50]	K
Tc	464.48	K	KDB
Tc	464.50	K	NIST
Tc	464.48 ± 0.20	K	NIST
Tfus	142.07	K	Joback Calculated Property
Ttriple	[123.06; 127.93]	K
Ttriple	127.93 ± 0.05	K	NIST
Ttriple	127.93 ± 0.05	K	NIST
Ttriple	123.06 ± 0.10	K	NIST
Vc	0.272	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[116.25; 158.04]	J/mol×K	[312.90; 480.53]
Cp,gas	116.25	J/mol×K	312.90	Joback Calculated Property
Cp,gas	123.64	J/mol×K	340.84	Joback Calculated Property
Cp,gas	130.85	J/mol×K	368.78	Joback Calculated Property
Cp,gas	137.91	J/mol×K	396.71	Joback Calculated Property
Cp,gas	144.79	J/mol×K	424.65	Joback Calculated Property
Cp,gas	151.50	J/mol×K	452.59	Joback Calculated Property
Cp,gas	158.04	J/mol×K	480.53	Joback Calculated Property
Cp,liquid	161.90	J/mol×K	298.15	NIST
η	[0.0001944; 0.0050393]	Pa×s	[142.07; 312.90]
η	0.0050393	Pa×s	142.07	Joback Calculated Property
η	0.0018626	Pa×s	170.54	Joback Calculated Property
η	0.0009152	Pa×s	199.01	Joback Calculated Property
η	0.0005373	Pa×s	227.48	Joback Calculated Property
η	0.0003551	Pa×s	255.96	Joback Calculated Property
η	0.0002550	Pa×s	284.43	Joback Calculated Property
η	0.0001944	Pa×s	312.90	Joback Calculated Property
ΔfusH	[5.85; 5.85]	kJ/mol	[127.30; 127.30]
ΔfusH	5.85	kJ/mol	127.30	NIST
ΔfusH	5.85	kJ/mol	127.30	NIST
ΔvapH	[26.05; 28.80]	kJ/mol	[287.50; 303.90]
ΔvapH	28.80	kJ/mol	287.50	NIST
ΔvapH	28.40	kJ/mol	292.50	NIST
ΔvapH	26.05	kJ/mol	303.90	NIST
ρl	724.00	kg/m3	288.00	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.69]	kPa	[220.08; 324.64]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45190e+01
Coefficient B			-2.72698e+03
Coefficient C			-2.84640e+01
Temperature range, min.			220.08
Temperature range, max.			324.64
Pvap	1.33	kPa	220.08	Calculated Property
Pvap	3.01	kPa	231.70	Calculated Property
Pvap	6.21	kPa	243.32	Calculated Property
Pvap	11.91	kPa	254.93	Calculated Property
Pvap	21.44	kPa	266.55	Calculated Property
Pvap	36.53	kPa	278.17	Calculated Property
Pvap	59.36	kPa	289.79	Calculated Property
Pvap	92.56	kPa	301.40	Calculated Property
Pvap	139.18	kPa	313.02	Calculated Property
Pvap	202.69	kPa	324.64	Calculated Property
Pvap	[2.39e-06; 3719.20]	kPa	[127.93; 464.50]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			5.79811e+01
Coefficient B			-5.03717e+03
Coefficient C			-6.52061e+00
Coefficient D			5.22467e-06
Temperature range, min.			127.93
Temperature range, max.			464.50
Pvap	2.39e-06	kPa	127.93	Calculated Property
Pvap	3.51e-03	kPa	165.33	Calculated Property
Pvap	0.28	kPa	202.72	Calculated Property
Pvap	4.78	kPa	240.12	Calculated Property
Pvap	34.76	kPa	277.52	Calculated Property
Pvap	147.72	kPa	314.91	Calculated Property
Pvap	442.23	kPa	352.31	Calculated Property
Pvap	1044.21	kPa	389.71	Calculated Property
Pvap	2089.87	kPa	427.10	Calculated Property
Pvap	3719.20	kPa	464.50	Calculated Property

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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