Chemical Properties of Oxirane, propyl- (CAS 1003-14-1)

InChI

InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3

InChI Key

SYURNNNQIFDVCA-UHFFFAOYSA-N

Formula

C5H10O

SMILES

CCCC1CO1

Molecular Weight¹

86.13

CAS

1003-14-1

Other Names

• Pentane, 1,2-epoxy-
• Pentene 1,2-oxide
• Propylethylene oxide
• Propyloxirane
• 1-Pentene oxide
• 1,2-Epoxypentane
• 2-Propyl-oxirane

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point 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	-123.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.82	kJ/mol	Joback Calculated Property
ΔvapH°	38.67	kJ/mol	Relay (1.0) Calculated Property
IE	10.03	eV	Relay (1.0) Calculated Property
logPoct/wat	1.185		Crippen Calculated Property
McVol	76.320	ml/mol	McGowan Calculated Property
Inp	[624.00; 666.00]
Inp	666.00		NIST
Inp	624.00		NIST
Inp	625.00		NIST
Inp	624.50		NIST
Inp	624.70		NIST
Inp	624.90		NIST
Inp	666.00		NIST
Inp	624.00		NIST
Inp	624.90		NIST
Tboil	364.85 ± 0.50	K	NIST
Tfus	164.19	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[105.47; 276.54]	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			-3.45780e+01
Coefficient B			6.26720e-01
Coefficient C			-4.54500e-04
Coefficient D			1.38900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	105.47	J/mol×K	273.00	Calculated Property
Cp,gas	136.41	J/mol×K	353.78	Calculated Property
Cp,gas	163.34	J/mol×K	434.56	Calculated Property
Cp,gas	186.70	J/mol×K	515.33	Calculated Property
Cp,gas	206.93	J/mol×K	596.11	Calculated Property
Cp,gas	224.48	J/mol×K	676.89	Calculated Property
Cp,gas	239.77	J/mol×K	757.67	Calculated Property
Cp,gas	253.25	J/mol×K	838.44	Calculated Property
Cp,gas	265.36	J/mol×K	919.22	Calculated Property
Cp,gas	276.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011356; 0.0003248]	Pa×s	[190.62; 369.93]	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			-9.36310e+00
Coefficient B			4.92270e+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.			190.62
Temperature range, max.			369.93
η	0.0011356	Pa×s	190.62	Calculated Property
η	0.0008894	Pa×s	210.54	Calculated Property
η	0.0007266	Pa×s	230.47	Calculated Property
η	0.0006130	Pa×s	250.39	Calculated Property
η	0.0005303	Pa×s	270.31	Calculated Property
η	0.0004680	Pa×s	290.23	Calculated Property
η	0.0004197	Pa×s	310.16	Calculated Property
η	0.0003814	Pa×s	330.08	Calculated Property
η	0.0003503	Pa×s	350.00	Calculated Property
η	0.0003248	Pa×s	369.93	Calculated Property

Similar Compounds

Find more compounds similar to Oxirane, propyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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