Chemical Properties of Di-n-propyl ether (CAS 111-43-3)

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InChI

InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3

InChI Key

POLCUAVZOMRGSN-UHFFFAOYSA-N

Formula

C6H14O

SMILES

CCCOCCC

Molecular Weight¹

102.17

CAS

111-43-3

Other Names

• (n-C3H7)2O
• 1,1'-Oxybis[propane]
• 4-Oxaheptane
• Dipropyl ether
• Dipropyl oxide
• Ether, di-n-propyl-
• Propane, 1,1'-oxybis-
• Propyl ether
• UN 2384
• n-Propyl ether

Sources

• Joback Method
• NIST Webbook
• Crippen Method

• PAff: Proton affinity (kJ/mol).
• BasG: Gas basicity (kJ/mol).
• 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).
• 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).
• logP_oct/wat: Octanol/Water partition coefficient.
• P_c: Critical Pressure (kPa).
• S°_gas: Molar entropy at standard conditions (J/mol×K).
• S°_liquid: Liquid phase molar entropy at standard conditions (J/mol×K).
• Δ_vapS: Entropy of vaporization at a given temperature (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/kg-mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	837.90	kJ/mol	NIST
BasG	810.50	kJ/mol	NIST
ΔcH°liquid	-4033.10 ± 0.79	kJ/mol	NIST
ΔcH°liquid	-4028.90 ± 2.10	kJ/mol	NIST
ΔfG°	-105.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-293.00 ± 2.00	kJ/mol	NIST
ΔfH°gas	-299.00	kJ/mol	NIST
ΔfH°liquid	-328.80 ± 0.88	kJ/mol	NIST
ΔfH°liquid	-333.10 ± 2.10	kJ/mol	NIST
ΔfusH°	12.48	kJ/mol	Joback Calculated Property
ΔvapH°	[35.68; 36.50]	kJ/mol
ΔvapH°	35.79	kJ/mol	NIST
ΔvapH°	35.68	kJ/mol	NIST
ΔvapH°	35.70 ± 0.10	kJ/mol	NIST
ΔvapH°	36.50 ± 1.30	kJ/mol	NIST
IE	[9.27; 9.53]	eV
IE	9.30 ± 0.03	eV	NIST
IE	9.32 ± 0.01	eV	NIST
IE	9.27 ± 0.05	eV	NIST
IE	9.53	eV	NIST
IE	9.49	eV	NIST
logPoct/wat	1.823		Crippen Calculated Property
Pc	3028.00 ± 6.00	kPa	NIST
S°gas	422.50	J/mol×K	NIST
S°liquid	323.90	J/mol×K	NIST
Tboil	[362.20; 364.20]	K
Tboil	362.20	K	NIST
Tboil	364.20	K	NIST
Tboil	363.10	K	NIST
Tboil	363.26 ± 0.10	K	NIST
Tboil	364.15 ± 0.50	K	NIST
Tboil	363.90 ± 1.00	K	NIST
Tboil	363.30 ± 0.50	K	NIST
Tc	530.60	K	NIST
Tc	530.60 ± 0.30	K	NIST
Tfus	149.95 ± 0.40	K	NIST
Ttriple	149.40 ± 0.10	K	NIST
Ttriple	158.36 ± 0.06	K	NIST
Vc	0.390	m3/kg-mol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[182.95; 221.05]	J/mol×K	[360.00; 460.01]
Cp,gas	182.95	J/mol×K	360.0	NIST
Cp,gas	190.77	J/mol×K	380.01	NIST
Cp,gas	198.45	J/mol×K	399.98	NIST
Cp,gas	209.91	J/mol×K	430.05	NIST
Cp,gas	221.05	J/mol×K	460.01	NIST
Cp,liquid	221.45	J/mol×K	298.15	NIST
Cp,liquid	221.60	J/mol×K	298.15	NIST
η	0.0002208	Pa×s	359.1	Joback Calculated Property
ΔfusH	10.77	kJ/mol	158.4	NIST
ΔvapH	[31.27; 35.60]	kJ/mol	[323.00; 497.50]
ΔvapH	34.80	kJ/mol	323.0	NIST
ΔvapH	35.10	kJ/mol	331.0	NIST
ΔvapH	35.60	kJ/mol	340.5	NIST
ΔvapH	34.60	kJ/mol	341.5	NIST
ΔvapH	34.50	kJ/mol	359.5	NIST
ΔvapH	31.40	kJ/mol	363.0	NIST
ΔvapH	31.31	kJ/mol	363.1	NIST
ΔvapH	31.27	kJ/mol	363.22	NIST
ΔvapH	32.20	kJ/mol	426.0	NIST
ΔvapH	32.40	kJ/mol	497.5	NIST
ΔvapS	86.10	J/mol×K	363.22	NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring)	1
-CH2-	4
-CH3	2

Similar Compounds

Find more compounds similar to Di-n-propyl ether.

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