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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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
ΔfusH°	16.95	kJ/mol	Joback Calculated Property
ΔvapH°	60.95	kJ/mol	Relay (1.0) Calculated Property
IE	9.52	eV	Relay (1.0) Calculated Property
logPoct/wat	2.611		Crippen Calculated Property
McVol	131.020	ml/mol	McGowan Calculated Property
Inp	[1127.00; 1127.00]
Inp	1127.00		NIST
Inp	1127.00		NIST
Tboil	445.91	K	Relay (1.0) Calculated Property
Tfus	260.23	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[297.10; 357.65]	J/mol×K	[493.48; 659.27]
Cp,gas	297.10	J/mol×K	493.48	Joback Calculated Property
Cp,gas	308.20	J/mol×K	521.11	Joback Calculated Property
Cp,gas	318.88	J/mol×K	548.74	Joback Calculated Property
Cp,gas	329.16	J/mol×K	576.37	Joback Calculated Property
Cp,gas	339.04	J/mol×K	604.00	Joback Calculated Property
Cp,gas	348.54	J/mol×K	631.64	Joback Calculated Property
Cp,gas	357.65	J/mol×K	659.27	Joback Calculated Property
η	[0.0001297; 0.0453543]	Pa×s	[246.21; 493.48]
η	0.0453543	Pa×s	246.21	Joback Calculated Property
η	0.0084861	Pa×s	287.42	Joback Calculated Property
η	0.0024175	Pa×s	328.63	Joback Calculated Property
η	0.0009111	Pa×s	369.84	Joback Calculated Property
η	0.0004176	Pa×s	411.06	Joback Calculated Property
η	0.0002206	Pa×s	452.27	Joback Calculated Property
η	0.0001297	Pa×s	493.48	Joback Calculated Property

Similar Compounds

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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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