Chemical Properties of 1-octen-3-hydroperoxide (CAS 72755-76-1)

InChI

InChI=1S/C8H16O2/c1-3-5-6-7-8(4-2)10-9/h4,8-9H,2-3,5-7H2,1H3

InChI Key

CHGORMNWCVRPCH-UHFFFAOYSA-N

Formula

C8H16O2

SMILES

C=CC(CCCCC)OO

Molecular Weight¹

144.21

CAS

72755-76-1

• 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).
• 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.
• 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	0.6008		Relay (1.0) Calculated Property
ΔfG°	-139.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-201.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.95	kJ/mol	Joback Calculated Property
ΔvapH°	59.39	kJ/mol	Relay (1.0) Calculated Property
IE	9.52	eV	Relay (1.0) Calculated Property
log10WS	-1.86		Relay (1.0) Calculated Property
logPoct/wat	2.611		Crippen Calculated Property
McVol	131.020	ml/mol	McGowan Calculated Property
Pc	2887.40	kPa	Joback Calculated Property
Inp	[1127.00; 1127.00]
Inp	1127.00		NIST
Inp	1127.00		NIST
Tboil	445.91	K	Relay (1.0) Calculated Property
Tc	641.27	K	Relay (1.0) Calculated Property
Tfus	262.45	K	Relay (1.0) Calculated Property
Vc	0.474	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[297.02; 357.56]	J/mol×K	[493.28; 659.00]
Cp,gas	297.02	J/mol×K	493.28	Joback Calculated Property
Cp,gas	308.11	J/mol×K	520.90	Joback Calculated Property
Cp,gas	318.80	J/mol×K	548.52	Joback Calculated Property
Cp,gas	329.08	J/mol×K	576.14	Joback Calculated Property
Cp,gas	338.96	J/mol×K	603.76	Joback Calculated Property
Cp,gas	348.45	J/mol×K	631.38	Joback Calculated Property
Cp,gas	357.56	J/mol×K	659.00	Joback Calculated Property
η	[0.0001300; 0.0453543]	Pa×s	[246.21; 493.28]
η	0.0453543	Pa×s	246.21	Joback Calculated Property
η	0.0084959	Pa×s	287.39	Joback Calculated Property
η	0.0024218	Pa×s	328.57	Joback Calculated Property
η	0.0009130	Pa×s	369.75	Joback Calculated Property
η	0.0004185	Pa×s	410.92	Joback Calculated Property
η	0.0002211	Pa×s	452.10	Joback Calculated Property
η	0.0001300	Pa×s	493.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-octen-3-hydroperoxide.

Sources

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

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