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°	36.51	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	164.55	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[134.15; 190.11]	J/mol×K	[347.49; 528.16]
Cp,gas	134.15	J/mol×K	347.49	Joback Calculated Property
Cp,gas	144.75	J/mol×K	377.60	Joback Calculated Property
Cp,gas	154.81	J/mol×K	407.71	Joback Calculated Property
Cp,gas	164.35	J/mol×K	437.83	Joback Calculated Property
Cp,gas	173.40	J/mol×K	467.94	Joback Calculated Property
Cp,gas	181.98	J/mol×K	498.05	Joback Calculated Property
Cp,gas	190.11	J/mol×K	528.16	Joback Calculated Property
η	[0.0003539; 0.0011356]	Pa×s	[190.62; 347.49]
η	0.0011356	Pa×s	190.62	Joback Calculated Property
η	0.0008316	Pa×s	216.77	Joback Calculated Property
η	0.0006513	Pa×s	242.91	Joback Calculated Property
η	0.0005349	Pa×s	269.06	Joback Calculated Property
η	0.0004549	Pa×s	295.20	Joback Calculated Property
η	0.0003972	Pa×s	321.35	Joback Calculated Property
η	0.0003539	Pa×s	347.49	Joback 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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