Chemical Properties of Oxirane, pentyl- (CAS 5063-65-0)

InChI

InChI=1S/C7H14O/c1-2-3-4-5-7-6-8-7/h7H,2-6H2,1H3

InChI Key

NMOFYYYCFRVWBK-UHFFFAOYSA-N

Formula

C7H14O

SMILES

CCCCCC1CO1

Molecular Weight¹

114.19

CAS

5063-65-0

Other Names

• 1,2-Epoxyheptane
• 1,2-Heptenoxide
• 1-Heptene oxide
• Heptane, 1,2-epoxy-
• Heptene 1,2-oxide
• Pentyloxirane

• 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_fusH° : Enthalpy of fusion at standard conditions (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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• 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	0.3282		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ΔfG°	-17.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-187.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.00	kJ/mol	Joback Calculated Property
ΔvapH°	48.47	kJ/mol	Relay (1.0) Calculated Property
IE	9.95	eV	Relay (1.0) Calculated Property
log10WS	-2.30		Relay (1.0) Calculated Property
logPoct/wat	1.965		Crippen Calculated Property
McVol	104.500	ml/mol	McGowan Calculated Property
Pc	2705.38	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Inp	[905.00; 905.00]
Inp	905.00		NIST
Inp	905.00		NIST
Ip	[1153.00; 1153.00]
Ip	1153.00		NIST
Ip	1153.00		NIST
Tboil	415.94	K	Relay (1.0) Calculated Property
Tc	610.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tfus	201.29	K	Relay (1.0) Calculated Property
Vc	0.417	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[147.90; 379.72]	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			-3.63960e+01
Coefficient B			8.16720e-01
Coefficient C			-5.63300e-04
Coefficient D			1.62700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	147.90	J/mol×K	273.00	Calculated Property
Cp,gas	189.24	J/mol×K	353.78	Calculated Property
Cp,gas	225.49	J/mol×K	434.56	Calculated Property
Cp,gas	257.16	J/mol×K	515.33	Calculated Property
Cp,gas	284.76	J/mol×K	596.11	Calculated Property
Cp,gas	308.80	J/mol×K	676.89	Calculated Property
Cp,gas	329.80	J/mol×K	757.67	Calculated Property
Cp,gas	348.28	J/mol×K	838.44	Calculated Property
Cp,gas	364.75	J/mol×K	919.22	Calculated Property
Cp,gas	379.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018616; 0.0003762]	Pa×s	[213.16; 427.00]	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			-9.47915e+00
Coefficient B			6.80590e+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.			213.16
Temperature range, max.			427.00
η	0.0018616	Pa×s	213.16	Calculated Property
η	0.0013516	Pa×s	236.92	Calculated Property
η	0.0010402	Pa×s	260.68	Calculated Property
η	0.0008364	Pa×s	284.44	Calculated Property
η	0.0006955	Pa×s	308.20	Calculated Property
η	0.0005938	Pa×s	331.96	Calculated Property
η	0.0005178	Pa×s	355.72	Calculated Property
η	0.0004594	Pa×s	379.48	Calculated Property
η	0.0004133	Pa×s	403.24	Calculated Property
η	0.0003762	Pa×s	427.00	Calculated Property

Similar Compounds

Find more compounds similar to Oxirane, pentyl-.

Sources

• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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