Chemical Properties of 7-Tridecanone (CAS 462-18-0)

InChI

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

InChI Key

ULIAPOFMBCCSPE-UHFFFAOYSA-N

Formula

C13H26O

SMILES

CCCCCCC(=O)CCCCCC

Molecular Weight¹

198.34

CAS

462-18-0

Other Names

• Dihexyl ketone
• Enanthone
• Hexyl ketone
• di-Normal-hexyl ketone
• di-n-Hexyl ketone
• tridecan-7-one

• 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 a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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.
• 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
ΔfG°	-70.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-424.23	kJ/mol	Joback Calculated Property
ΔfusH°	31.02	kJ/mol	Joback Calculated Property
ΔvapH°	51.28	kJ/mol	Joback Calculated Property
log10WS	-4.54		Crippen 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	238.01 ± 7.93	kg/m3	NIST
Inp	[1448.00; 1458.00]
Inp	1448.00		NIST
Inp	1458.00		NIST
Inp	1448.00		NIST
Inp	1448.00		NIST
Tboil	550.71	K	Joback Calculated Property
Tc	708.20 ± 2.80	K	NIST
Tfus	286.20	K	Joback Calculated Property
Vc	0.769	m3/kmol	Joback 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	418.46	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
ΔsubH	103.80	kJ/mol	290.00	NIST
ΔvapH	[49.30; 62.70]	kJ/mol	[497.50; 509.50]
ΔvapH	62.70	kJ/mol	497.50	NIST
ΔvapH	49.30	kJ/mol	509.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[404.82; 565.00]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.51968e+01
Coefficient B			-4.69904e+03
Coefficient C			-8.96440e+01
Temperature range, min.			404.82
Temperature range, max.			565.00
Pvap	1.33	kPa	404.82	Calculated Property
Pvap	2.96	kPa	422.62	Calculated Property
Pvap	6.05	kPa	440.42	Calculated Property
Pvap	11.56	kPa	458.21	Calculated Property
Pvap	20.80	kPa	476.01	Calculated Property
Pvap	35.53	kPa	493.81	Calculated Property
Pvap	58.01	kPa	511.61	Calculated Property
Pvap	91.05	kPa	529.40	Calculated Property
Pvap	137.97	kPa	547.20	Calculated Property
Pvap	202.66	kPa	565.00	Calculated Property

Similar Compounds

Find more compounds similar to 7-Tridecanone.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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