Chemical Properties of 3-Tridecanone (CAS 1534-26-5)

InChI

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

InChI Key

ZDIXOWNDGFVYNK-UHFFFAOYSA-N

Formula

C13H26O

SMILES

CCCCCCCCCCC(=O)CC

Molecular Weight¹

198.34

CAS

1534-26-5

Other Names

• tridecan-3-one

• 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).
• P_vap : Vapor pressure (kPa).
• ρ_c : Critical density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.6611		Relay (1.0) Calculated Property
ΔfG°	-70.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-441.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.02	kJ/mol	Joback Calculated Property
ΔvapH°	67.55	kJ/mol	Relay (1.0) Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
log10WS	-4.86		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
ρc	241.98 ± 7.93	kg/m3	NIST
Inp	[1467.00; 1498.00]
Inp	1498.00		NIST
Inp	1498.00		NIST
Inp	1472.00		NIST
Inp	1467.00		NIST
Inp	1467.00		NIST
I	1755.00		NIST
Tboil	527.21	K	Relay (1.0) Calculated Property
Tc	716.10 ± 1.70	K	NIST
Tfus	316.85	K	Relay (1.0) Calculated Property
Vc	0.755	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[486.12; 575.73]	J/mol×K	[550.71; 719.75]
Cp,gas	486.12	J/mol×K	550.71	Joback Calculated Property
Cp,gas	502.70	J/mol×K	578.88	Joback Calculated Property
Cp,gas	518.60	J/mol×K	607.06	Joback Calculated Property
Cp,gas	533.84	J/mol×K	635.23	Joback Calculated Property
Cp,gas	548.43	J/mol×K	663.40	Joback Calculated Property
Cp,gas	562.38	J/mol×K	691.58	Joback Calculated Property
Cp,gas	575.73	J/mol×K	719.75	Joback Calculated Property
η	[0.0002125; 0.0042194]	Pa×s	[286.20; 550.71]
η	0.0042194	Pa×s	286.20	Joback Calculated Property
η	0.0018390	Pa×s	330.28	Joback Calculated Property
η	0.0009747	Pa×s	374.37	Joback Calculated Property
η	0.0005905	Pa×s	418.45	Joback Calculated Property
η	0.0003936	Pa×s	462.54	Joback Calculated Property
η	0.0002816	Pa×s	506.62	Joback Calculated Property
η	0.0002125	Pa×s	550.71	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[408.78; 563.60]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.56282e+01
Coefficient B			-4.87724e+03
Coefficient C			-9.08450e+01
Temperature range, min.			408.78
Temperature range, max.			563.60
Pvap	1.33	kPa	408.78	Calculated Property
Pvap	2.93	kPa	425.98	Calculated Property
Pvap	5.96	kPa	443.18	Calculated Property
Pvap	11.36	kPa	460.39	Calculated Property
Pvap	20.43	kPa	477.59	Calculated Property
Pvap	34.96	kPa	494.79	Calculated Property
Pvap	57.24	kPa	511.99	Calculated Property
Pvap	90.18	kPa	529.20	Calculated Property
Pvap	137.27	kPa	546.40	Calculated Property
Pvap	202.66	kPa	563.60	Calculated Property

Similar Compounds

Find more compounds similar to 3-Tridecanone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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