Chemical Properties of 2H-Pyran-2-one, tetrahydro-6-octyl- (CAS 7370-92-5)

InChI

InChI=1S/C13H24O2/c1-2-3-4-5-6-7-9-12-10-8-11-13(14)15-12/h12H,2-11H2,1H3

InChI Key

RZZLMGATMUAJPX-UHFFFAOYSA-N

Formula

C13H24O2

SMILES

CCCCCCCCC1CCCC(=O)O1

Molecular Weight¹

212.33

CAS

7370-92-5

Other Names

• 6-Octyltetrahydro-2H-pyran-2-one
• tetrahydro-6-octyl-2H-pyran-2-one
• «delta»-Tridecalactone
• «delta»-Tridecanolide

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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
ω	0.6453		Relay (1.0) Calculated Property
ΔfG°	-203.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-575.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.83	kJ/mol	Joback Calculated Property
ΔvapH°	83.48	kJ/mol	Relay (1.0) Calculated Property
IE	9.76	eV	Relay (1.0) Calculated Property
logPoct/wat	3.833		Crippen Calculated Property
McVol	190.610	ml/mol	McGowan Calculated Property
Pc	1880.53	kPa	Joback Calculated Property
I	[2565.00; 2565.00]
I	2565.00		NIST
I	2565.00		NIST
Tboil	604.94	K	Relay (1.0) Calculated Property
Tc	776.29	K	Relay (1.0) Calculated Property
Tfus	263.79	K	Relay (1.0) Calculated Property
Vc	0.721	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[495.36; 591.27]	J/mol×K	[566.27; 748.65]
Cp,gas	495.36	J/mol×K	566.27	Joback Calculated Property
Cp,gas	513.49	J/mol×K	596.67	Joback Calculated Property
Cp,gas	530.73	J/mol×K	627.06	Joback Calculated Property
Cp,gas	547.10	J/mol×K	657.46	Joback Calculated Property
Cp,gas	562.63	J/mol×K	687.86	Joback Calculated Property
Cp,gas	577.35	J/mol×K	718.25	Joback Calculated Property
Cp,gas	591.27	J/mol×K	748.65	Joback Calculated Property
η	[0.0002744; 0.0039653]	Pa×s	[293.02; 566.27]
η	0.0039653	Pa×s	293.02	Joback Calculated Property
η	0.0018834	Pa×s	338.56	Joback Calculated Property
η	0.0010673	Pa×s	384.10	Joback Calculated Property
η	0.0006822	Pa×s	429.64	Joback Calculated Property
η	0.0004751	Pa×s	475.19	Joback Calculated Property
η	0.0003525	Pa×s	520.73	Joback Calculated Property
η	0.0002744	Pa×s	566.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2H-Pyran-2-one, tetrahydro-6-octyl-.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.