Chemical Properties of Tridecanone- (CAS 57702-05-3)

InChI

InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3

InChI Key

CYIFVRUOHKNECG-UHFFFAOYSA-N

Formula

C13H26O

SMILES

CCCCCCCCCCCC(C)=O

Molecular Weight¹

198.34

CAS

57702-05-3

• 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	0.6802		Relay (1.0) Calculated Property
ΔfG°	-70.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-445.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.02	kJ/mol	Joback Calculated Property
ΔvapH°	74.87	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-4.80		Relay (1.0) Calculated Property
logPoct/wat	4.496		Crippen Calculated Property
McVol	195.600	ml/mol	McGowan Calculated Property
Pc	1731.78	kPa	Joback Calculated Property
Inp	[1467.00; 1505.00]
Inp	1505.00		NIST
Inp	1467.00		NIST
Tboil	535.69	K	Relay (1.0) Calculated Property
Tc	716.54	K	Relay (1.0) Calculated Property
Tfus	301.47	K	Relay (1.0) Calculated Property
Vc	0.761	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[282.19; 679.03]	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			-1.57000e+00
Coefficient B			1.21084e+00
Coefficient C			-6.64700e-04
Coefficient D			1.34460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	282.19	J/mol×K	273.00	Calculated Property
Cp,gas	349.56	J/mol×K	353.78	Calculated Property
Cp,gas	410.12	J/mol×K	434.56	Calculated Property
Cp,gas	464.29	J/mol×K	515.33	Calculated Property
Cp,gas	512.51	J/mol×K	596.11	Calculated Property
Cp,gas	555.18	J/mol×K	676.89	Calculated Property
Cp,gas	592.75	J/mol×K	757.67	Calculated Property
Cp,gas	625.63	J/mol×K	838.44	Calculated Property
Cp,gas	654.25	J/mol×K	919.22	Calculated Property
Cp,gas	679.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042194; 0.0002868]	Pa×s	[286.20; 504.01]	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			-1.16900e+01
Coefficient B			1.78071e+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.			286.20
Temperature range, max.			504.01
η	0.0042194	Pa×s	286.20	Calculated Property
η	0.0025976	Pa×s	310.40	Calculated Property
η	0.0017154	Pa×s	334.60	Calculated Property
η	0.0011981	Pa×s	358.80	Calculated Property
η	0.0008756	Pa×s	383.00	Calculated Property
η	0.0006642	Pa×s	407.20	Calculated Property
η	0.0005197	Pa×s	431.41	Calculated Property
η	0.0004174	Pa×s	455.61	Calculated Property
η	0.0003427	Pa×s	479.81	Calculated Property
η	0.0002868	Pa×s	504.01	Calculated Property

Similar Compounds

Find more compounds similar to Tridecanone-.

Sources

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

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