Chemical Properties of 2-Tetradecanone (CAS 2345-27-9)

InChI

InChI=1S/C14H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h3-13H2,1-2H3

InChI Key

POQLVOYRGNFGRM-UHFFFAOYSA-N

Formula

C14H28O

SMILES

CCCCCCCCCCCCC(C)=O

Molecular Weight¹

212.37

CAS

2345-27-9

Other Names

• tetradecan-2-one

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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_p : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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	0.7155		Relay (1.0) Calculated Property
ΔfG°	-61.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-466.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.62	kJ/mol	Joback Calculated Property
ΔsubH°	[130.90; 130.90]	kJ/mol
ΔsubH°	130.90 ± 0.50	kJ/mol	NIST
ΔsubH°	130.90 ± 0.50	kJ/mol	NIST
ΔvapH°	[82.10; 82.10]	kJ/mol
ΔvapH°	82.10 ± 0.60	kJ/mol	NIST
ΔvapH°	82.10 ± 0.60	kJ/mol	NIST
IE	9.31	eV	Relay (1.0) Calculated Property
log10WS	-5.20		Relay (1.0) Calculated Property
logPoct/wat	4.886		Crippen Calculated Property
McVol	209.690	ml/mol	McGowan Calculated Property
Pc	1601.28	kPa	Joback Calculated Property
ρc	237.86 ± 6.37	kg/m3	NIST
Inp	[271.41; 1600.00]
Inp	1576.00		NIST
Inp	1580.00		NIST
Inp	1569.00		NIST
Inp	1597.00		NIST
Inp	1594.00		NIST
Inp	1570.00		NIST
Inp	1578.00		NIST
Inp	1594.00		NIST
Inp	1595.00		NIST
Inp	1597.00		NIST
Inp	1600.00		NIST
Inp	1580.00		NIST
Inp	1570.00		NIST
Inp	Outlier 271.41		NIST
Inp	1576.00		NIST
Inp	1595.00		NIST
Inp	Outlier 271.41		NIST
Inp	1594.00		NIST
Inp	1569.00		NIST
Ip	[1855.00; 1907.00]
Ip	1907.00		NIST
Ip	1874.00		NIST
Ip	1855.00		NIST
Ip	1893.00		NIST
Ip	1878.00		NIST
Ip	1893.00		NIST
Tboil	547.69	K	Relay (1.0) Calculated Property
Tc	[727.70; 728.00]	K
Tc	728.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc	727.70 ± 4.80	K	NIST
Tfus	[306.65; 306.70]	K
Tfus	306.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	306.70 ± 0.10	K	NIST
Tfus	306.70 ± 0.10	K	NIST
Vc	0.896	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	415.20	J/mol×K	298.15	NIST
ΔfusH	[49.12; 49.12]	kJ/mol	[306.70; 306.70]
ΔfusH	49.12	kJ/mol	306.70	NIST
ΔfusH	49.12	kJ/mol	306.70	NIST
ΔfusH	49.12	kJ/mol	306.70	NIST
ΔfusH	49.12	kJ/mol	306.70	NIST
ΔvapH	[51.60; 65.60]	kJ/mol	[461.50; 596.00]
ΔvapH	64.40	kJ/mol	461.50	NIST
ΔvapH	65.60	kJ/mol	485.50	NIST
ΔvapH	51.60	kJ/mol	527.50	NIST
ΔvapH	55.60	kJ/mol	596.00	NIST
ΔfusS	[160.20; 160.20]	J/mol×K	[306.70; 306.70]
ΔfusS	160.20	J/mol×K	306.70	NIST
ΔfusS	160.20	J/mol×K	306.70	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[407.20; 478.70]	K	[1.70; 13.30]
Tboilr	407.20	K	1.70	NIST
Tboilr	478.70	K	13.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[303.40; 730.62]	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			-2.47900e+00
Coefficient B			1.30584e+00
Coefficient C			-7.19100e-04
Coefficient D			1.46360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	303.40	J/mol×K	273.00	Calculated Property
Cp,gas	375.98	J/mol×K	353.78	Calculated Property
Cp,gas	441.20	J/mol×K	434.56	Calculated Property
Cp,gas	499.52	J/mol×K	515.33	Calculated Property
Cp,gas	551.42	J/mol×K	596.11	Calculated Property
Cp,gas	597.34	J/mol×K	676.89	Calculated Property
Cp,gas	637.77	J/mol×K	757.67	Calculated Property
Cp,gas	673.14	J/mol×K	838.44	Calculated Property
Cp,gas	703.94	J/mol×K	919.22	Calculated Property
Cp,gas	730.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033218; 0.0002914]	Pa×s	[306.68; 509.50]	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			-1.18206e+01
Coefficient B			1.87487e+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.			306.68
Temperature range, max.			509.50
η	0.0033218	Pa×s	306.68	Calculated Property
η	0.0021859	Pa×s	329.22	Calculated Property
η	0.0015177	Pa×s	351.75	Calculated Property
η	0.0011011	Pa×s	374.29	Calculated Property
η	0.0008285	Pa×s	396.82	Calculated Property
η	0.0006427	Pa×s	419.36	Calculated Property
η	0.0005117	Pa×s	441.89	Calculated Property
η	0.0004165	Pa×s	464.43	Calculated Property
η	0.0003455	Pa×s	486.96	Calculated Property
η	0.0002914	Pa×s	509.50	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[418.42; 582.17]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.52533e+01
Coefficient B			-4.84963e+03
Coefficient C			-9.43700e+01
Temperature range, min.			418.42
Temperature range, max.			582.17
Pvap	1.33	kPa	418.42	Calculated Property
Pvap	2.95	kPa	436.61	Calculated Property
Pvap	6.04	kPa	454.81	Calculated Property
Pvap	11.53	kPa	473.00	Calculated Property
Pvap	20.74	kPa	491.20	Calculated Property
Pvap	35.45	kPa	509.39	Calculated Property
Pvap	57.90	kPa	527.59	Calculated Property
Pvap	90.92	kPa	545.78	Calculated Property
Pvap	137.86	kPa	563.98	Calculated Property
Pvap	202.64	kPa	582.17	Calculated Property

Similar Compounds

Find more compounds similar to 2-Tetradecanone.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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