Chemical Properties of Peroxytridecanoic acid (CAS 40915-96-6)

InChI

InChI=1S/C13H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)16-15/h15H,2-12H2,1H3

InChI Key

LOYQGUVUOVODCG-UHFFFAOYSA-N

Formula

C13H26O3

SMILES

CCCCCCCCCCCCC(=O)OO

Molecular Weight¹

230.34

CAS

40915-96-6

• 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_subH° : Enthalpy of sublimation 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[310.10; 716.79]	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			2.17710e+01
Coefficient B			1.21802e+00
Coefficient C			-6.19200e-04
Coefficient D			9.62000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	310.10	J/mol×K	273.00	Calculated Property
Cp,gas	379.44	J/mol×K	353.78	Calculated Property
Cp,gas	442.03	J/mol×K	434.56	Calculated Property
Cp,gas	498.18	J/mol×K	515.33	Calculated Property
Cp,gas	548.19	J/mol×K	596.11	Calculated Property
Cp,gas	592.37	J/mol×K	676.89	Calculated Property
Cp,gas	631.01	J/mol×K	757.67	Calculated Property
Cp,gas	664.42	J/mol×K	838.44	Calculated Property
Cp,gas	692.92	J/mol×K	919.22	Calculated Property
Cp,gas	716.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0070273; 0.0000933]	Pa×s	[339.42; 568.16]	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			-1.56934e+01
Coefficient B			3.64383e+03
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.			339.42
Temperature range, max.			568.16
η	0.0070273	Pa×s	339.42	Calculated Property
η	0.0033266	Pa×s	364.84	Calculated Property
η	0.0017359	Pa×s	390.25	Calculated Property
η	0.0009808	Pa×s	415.67	Calculated Property
η	0.0005918	Pa×s	441.08	Calculated Property
η	0.0003773	Pa×s	466.50	Calculated Property
η	0.0002520	Pa×s	491.91	Calculated Property
η	0.0001752	Pa×s	517.33	Calculated Property
η	0.0001259	Pa×s	542.74	Calculated Property
η	0.0000933	Pa×s	568.16	Calculated Property

Similar Compounds

Find more compounds similar to Peroxytridecanoic acid.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.