Chemical Properties of Oxirane, (propoxymethyl)- (CAS 3126-95-2)

InChI

InChI=1S/C6H12O2/c1-2-3-7-4-6-5-8-6/h6H,2-5H2,1H3

InChI Key

CWNOEVURTVLUNV-UHFFFAOYSA-N

Formula

C6H12O2

SMILES

CCCOCC1CO1

Molecular Weight¹

116.16

CAS

3126-95-2

Other Names

• (Propoxymethyl)oxirane
• 1,2-Epoxy-3-propoxypropane
• Ether, 2,3-epoxypropyl propyl
• Glycidyl propyl ether
• Propane, 1,2-epoxy-3-propoxy-
• Propyl glycidyl ether

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4235		Relay (1.0) Calculated Property
ΔfG°	-130.73	kJ/mol	Joback Calculated Property
ΔfH°gas	[-272.60; -271.40]	kJ/mol
ΔfH°gas	-272.60 ± 2.30	kJ/mol	NIST
ΔfH°gas	-271.40 ± 1.60	kJ/mol	NIST
ΔfH°liquid	-319.90 ± 1.50	kJ/mol	NIST
ΔfusH°	18.60	kJ/mol	Joback Calculated Property
ΔvapH°	48.54 ± 0.43	kJ/mol	NIST
IE	9.71	eV	Relay (1.0) Calculated Property
log10WS	-0.71		Relay (1.0) Calculated Property
logPoct/wat	0.812		Crippen Calculated Property
McVol	96.280	ml/mol	McGowan Calculated Property
Pc	3501.28	kPa	Joback Calculated Property
Tboil	418.07	K	Relay (1.0) Calculated Property
Tc	593.18	K	Relay (1.0) Calculated Property
Tfus	186.41	K	Relay (1.0) Calculated Property
Vc	0.385	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[142.09; 346.63]	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			-9.98700e+00
Coefficient B			6.58520e-01
Coefficient C			-3.97900e-04
Coefficient D			9.60000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	142.09	J/mol×K	273.00	Calculated Property
Cp,gas	177.43	J/mol×K	353.78	Calculated Property
Cp,gas	208.92	J/mol×K	434.56	Calculated Property
Cp,gas	236.84	J/mol×K	515.33	Calculated Property
Cp,gas	261.51	J/mol×K	596.11	Calculated Property
Cp,gas	283.22	J/mol×K	676.89	Calculated Property
Cp,gas	302.29	J/mol×K	757.67	Calculated Property
Cp,gas	319.01	J/mol×K	838.44	Calculated Property
Cp,gas	333.69	J/mol×K	919.22	Calculated Property
Cp,gas	346.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015221; 0.0003765]	Pa×s	[224.12; 401.53]	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			-9.64903e+00
Coefficient B			7.08520e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			224.12
Temperature range, max.			401.53
η	0.0015221	Pa×s	224.12	Calculated Property
η	0.0011788	Pa×s	243.83	Calculated Property
η	0.0009485	Pa×s	263.54	Calculated Property
η	0.0007867	Pa×s	283.26	Calculated Property
η	0.0006685	Pa×s	302.97	Calculated Property
η	0.0005795	Pa×s	322.68	Calculated Property
η	0.0005107	Pa×s	342.39	Calculated Property
η	0.0004563	Pa×s	362.11	Calculated Property
η	0.0004125	Pa×s	381.82	Calculated Property
η	0.0003765	Pa×s	401.53	Calculated Property

Similar Compounds

Find more compounds similar to Oxirane, (propoxymethyl)-.

Sources

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

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