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

• 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).
• 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 : 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
ΔfG°	-17.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-247.01	kJ/mol	Joback Calculated Property
ΔfusH°	20.00	kJ/mol	Joback Calculated Property
ΔvapH°	35.60	kJ/mol	Joback Calculated Property
log10WS	-1.85		Crippen Calculated Property
logPoct/wat	1.965		Crippen Calculated Property
McVol	104.500	ml/mol	McGowan Calculated Property
Pc	3195.54	kPa	Joback Calculated Property
Inp	905.00		NIST
I	[1153.00; 1153.00]
I	1153.00		NIST
I	1153.00		NIST
Tboil	393.25	K	Joback Calculated Property
Tc	572.73	K	Joback Calculated Property
Tfus	213.16	K	Joback Calculated Property
Vc	0.406	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[207.56; 277.15]	J/mol×K	[393.25; 572.73]
Cp,gas	207.56	J/mol×K	393.25	Joback Calculated Property
Cp,gas	220.67	J/mol×K	423.16	Joback Calculated Property
Cp,gas	233.14	J/mol×K	453.08	Joback Calculated Property
Cp,gas	245.00	J/mol×K	482.99	Joback Calculated Property
Cp,gas	256.27	J/mol×K	512.90	Joback Calculated Property
Cp,gas	266.98	J/mol×K	542.81	Joback Calculated Property
Cp,gas	277.15	J/mol×K	572.73	Joback Calculated Property
η	[0.0004314; 0.0018616]	Pa×s	[213.16; 393.25]
η	0.0018616	Pa×s	213.16	Joback Calculated Property
η	0.0012553	Pa×s	243.18	Joback Calculated Property
η	0.0009230	Pa×s	273.19	Joback Calculated Property
η	0.0007213	Pa×s	303.20	Joback Calculated Property
η	0.0005892	Pa×s	333.22	Joback Calculated Property
η	0.0004977	Pa×s	363.24	Joback Calculated Property
η	0.0004314	Pa×s	393.25	Joback Calculated Property
ΔvapH	45.50	kJ/mol	359.50	NIST

Similar Compounds

Find more compounds similar to Oxirane, pentyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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