Chemical Properties of 2-Tridecanone (CAS 593-08-8)

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

593-08-8

Other Names

• 2-Tridecankje
• Mathyl undecyl kepoje
• Methyl n-undecyl ketone
• Tridecan-2-one
• Tridecanone-2
• methyl undecyl ketone

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.6802		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°	44.03	kJ/mol	Measurements, Correlations, and Mod. UNIFAC (Do) Prediction of (Solid-Liquid) Phase Equilibria Diagrams in Binary Systems (Aliphatic Ketone + an Alcohol)
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
ρc	241.98 ± 7.93	kg/m3	NIST
Inp	[255.36; 1527.00]
Inp	1497.00		NIST
Inp	1491.00		NIST
Inp	1475.00		NIST
Inp	1475.00		NIST
Inp	1495.00		NIST
Inp	1492.40		NIST
Inp	1484.40		NIST
Inp	1480.00		NIST
Inp	1467.30		NIST
Inp	1496.00		NIST
Inp	1494.00		NIST
Inp	1494.00		NIST
Inp	1477.00		NIST
Inp	1478.00		NIST
Inp	1497.00		NIST
Inp	1481.00		NIST
Inp	1497.30		NIST
Inp	1497.00		NIST
Inp	1476.00		NIST
Inp	1491.00		NIST
Inp	1499.00		NIST
Inp	1491.00		NIST
Inp	1480.00		NIST
Inp	1480.00		NIST
Inp	1475.00		NIST
Inp	1527.00		NIST
Inp	1479.00		NIST
Inp	1476.00		NIST
Inp	1527.00		NIST
Inp	1475.00		NIST
Inp	1476.00		NIST
Inp	1478.00		NIST
Inp	1474.00		NIST
Inp	1470.00		NIST
Inp	1495.00		NIST
Inp	1482.00		NIST
Inp	1475.00		NIST
Inp	1477.00		NIST
Inp	1485.00		NIST
Inp	1499.00		NIST
Inp	1477.00		NIST
Inp	1494.00		NIST
Inp	1496.00		NIST
Inp	1512.00		NIST
Inp	1470.00		NIST
Inp	1498.00		NIST
Inp	1498.00		NIST
Inp	1478.00		NIST
Inp	1500.00		NIST
Inp	1489.00		NIST
Inp	1498.00		NIST
Inp	1479.00		NIST
Inp	1495.00		NIST
Inp	1475.00		NIST
Inp	1474.00		NIST
Inp	1480.00		NIST
Inp	1497.00		NIST
Inp	1474.00		NIST
Inp	1500.00		NIST
Inp	1483.00		NIST
Inp	1502.00		NIST
Inp	1494.00		NIST
Inp	1489.00		NIST
Inp	1501.00		NIST
Inp	1521.00		NIST
Inp	1487.00		NIST
Inp	1476.00		NIST
Inp	1516.00		NIST
Inp	1473.00		NIST
Inp	1479.00		NIST
Inp	1496.00		NIST
Inp	1475.00		NIST
Inp	1491.00		NIST
Inp	1468.00		NIST
Inp	1495.00		NIST
Inp	1507.00		NIST
Inp	1497.00		NIST
Inp	1498.00		NIST
Inp	1496.00		NIST
Inp	1481.00		NIST
Inp	1502.00		NIST
Inp	1496.00		NIST
Inp	1496.00		NIST
Inp	1506.00		NIST
Inp	1496.00		NIST
Inp	1484.00		NIST
Inp	1479.00		NIST
Inp	1470.00		NIST
Inp	1484.00		NIST
Inp	1482.00		NIST
Inp	1503.00		NIST
Inp	1476.00		NIST
Inp	1473.00		NIST
Inp	1520.00		NIST
Inp	1476.00		NIST
Inp	1503.00		NIST
Inp	Outlier 255.36		NIST
Inp	1496.00		NIST
Inp	1499.00		NIST
Inp	1470.00		NIST
I	[1771.00; 1845.00]
I	1805.00		NIST
I	1808.00		NIST
I	1814.00		NIST
I	1805.00		NIST
I	1810.00		NIST
I	1806.00		NIST
I	1790.00		NIST
I	1813.00		NIST
I	1813.00		NIST
I	Outlier 1842.00		NIST
I	1796.00		NIST
I	1791.00		NIST
I	1816.00		NIST
I	Outlier 1771.00		NIST
I	1817.00		NIST
I	1814.00		NIST
I	1815.00		NIST
I	1816.00		NIST
I	1799.00		NIST
I	1810.00		NIST
I	1803.00		NIST
I	1808.00		NIST
I	1797.00		NIST
I	1807.00		NIST
I	Outlier 1845.00		NIST
I	1793.00		NIST
I	1818.00		NIST
I	1808.00		NIST
I	1786.00		NIST
I	1818.00		NIST
I	Outlier 1836.00		NIST
I	1813.00		NIST
I	1793.00		NIST
I	1828.00		NIST
I	1792.00		NIST
I	1801.00		NIST
I	1805.00		NIST
I	1802.00		NIST
I	1803.00		NIST
I	1787.00		NIST
I	1787.00		NIST
I	1819.00		NIST
I	1806.00		NIST
I	1815.00		NIST
I	1810.00		NIST
I	1815.00		NIST
I	1815.00		NIST
I	1815.00		NIST
I	1792.00		NIST
I	1815.00		NIST
I	1815.00		NIST
I	1815.00		NIST
I	1815.00		NIST
I	1797.00		NIST
I	1808.00		NIST
I	1805.00		NIST
I	1807.00		NIST
I	1786.00		NIST
I	1828.00		NIST
I	1803.00		NIST
I	1808.00		NIST
I	1790.00		NIST
I	1791.00		NIST
I	1815.00		NIST
Tboil	[528.15; 536.20]	K
Tboil	536.20	K	NIST
Tboil	528.15 ± 2.00	K	NIST
Tboil	535.65 ± 2.00	K	NIST
Tboil	535.90 ± 2.00	K	NIST
Tboil	536.15 ± 2.00	K	NIST
Tc	717.00 ± 3.00	K	NIST
Tfus	301.47	K	Relay (1.0) Calculated Property
Vc	0.761	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[49.60; 69.80]	kJ/mol	[383.00; 514.00]
ΔvapH	69.80	kJ/mol	383.00	NIST
ΔvapH	69.60	kJ/mol	434.50	NIST
ΔvapH	62.10	kJ/mol	447.50	NIST
ΔvapH	61.00	kJ/mol	467.00	NIST
ΔvapH	49.60	kJ/mol	514.00	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[407.20; 433.20]	K	[1.30; 2.10]
Tboilr	407.20	K	1.30	NIST
Tboilr	433.20	K	2.10	NIST

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; 0.0002910]	Pa×s	[286.20; 501.90]	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
Temperature range, min.			286.20
Temperature range, max.			501.90
η	0.0042194	Pa×s	286.20	Calculated Property
η	0.0026089	Pa×s	310.17	Calculated Property
η	0.0017283	Pa×s	334.13	Calculated Property
η	0.0012098	Pa×s	358.10	Calculated Property
η	0.0008856	Pa×s	382.07	Calculated Property
η	0.0006726	Pa×s	406.03	Calculated Property
η	0.0005268	Pa×s	430.00	Calculated Property
η	0.0004233	Pa×s	453.97	Calculated Property
η	0.0003477	Pa×s	477.93	Calculated Property
η	0.0002910	Pa×s	501.90	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[406.42; 567.56]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.51705e+01
Coefficient B			-4.70629e+03
Coefficient C			-9.02000e+01
Temperature range, min.			406.42
Temperature range, max.			567.56
Pvap	1.33	kPa	406.42	Calculated Property
Pvap	2.96	kPa	424.32	Calculated Property
Pvap	6.06	kPa	442.23	Calculated Property
Pvap	11.57	kPa	460.13	Calculated Property
Pvap	20.82	kPa	478.04	Calculated Property
Pvap	35.56	kPa	495.94	Calculated Property
Pvap	58.06	kPa	513.85	Calculated Property
Pvap	91.10	kPa	531.75	Calculated Property
Pvap	138.01	kPa	549.66	Calculated Property
Pvap	202.66	kPa	567.56	Calculated Property
Pvap	[0.13; 100.31]	kPa	[360.00; 535.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.67831e+01
Coefficient B			-6.07524e+03
Coefficient C			-3.67000e+01
Reference			Stull, 1947
Temperature range, min.			360.00
Temperature range, max.			535.70
Pvap	0.13	kPa	360.00	Calculated Property
Pvap	0.39	kPa	379.52	Calculated Property
Pvap	1.02	kPa	399.04	Calculated Property
Pvap	2.40	kPa	418.57	Calculated Property
Pvap	5.19	kPa	438.09	Calculated Property
Pvap	10.48	kPa	457.61	Calculated Property
Pvap	19.87	kPa	477.13	Calculated Property
Pvap	35.69	kPa	496.66	Calculated Property
Pvap	61.11	kPa	516.18	Calculated Property
Pvap	100.31	kPa	535.70	Calculated Property

Similar Compounds

Find more compounds similar to 2-Tridecanone.

Mixtures

• Water + 2-Tridecanone
• 1-Octanol + 2-Tridecanone
• 1-Decanol + 2-Tridecanone
• 1-Dodecanol + 2-Tridecanone

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solubility of fragrance raw materials in water: Experimental study, correlations, and Mod. UNIFAC (Do) predictions
• Measurements, Correlations, and Mod. UNIFAC (Do) Prediction of (Solid-Liquid) Phase Equilibria Diagrams in Binary Systems (Aliphatic Ketone + an Alcohol)
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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