Chemical Properties of 13-Tetradecenal (CAS 85896-31-7)

InChI

InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,14H,1,3-13H2

InChI Key

ZVJRAGVPKPPDKE-UHFFFAOYSA-N

Formula

C14H26O

SMILES

C=CCCCCCCCCCCCC=O

Molecular Weight¹

210.36

CAS

85896-31-7

Other Names

• tetradec-13-enal

• 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).
• I_np : Non-polar retention indices.
• I_p : 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	0.6891		Relay (1.0) Calculated Property
ΔfG°	55.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-331.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.02	kJ/mol	Joback Calculated Property
ΔvapH°	81.48	kJ/mol	Relay (1.0) Calculated Property
IE	9.43	eV	Relay (1.0) Calculated Property
log10WS	-5.20		Relay (1.0) Calculated Property
logPoct/wat	4.662		Crippen Calculated Property
McVol	205.390	ml/mol	McGowan Calculated Property
Pc	1671.43	kPa	Joback Calculated Property
Inp	[1608.00; 1608.00]
Inp	1608.00		NIST
Inp	1608.00		NIST
Ip	1964.00		NIST
Tboil	550.84	K	Relay (1.0) Calculated Property
Tc	744.30	K	Relay (1.0) Calculated Property
Tfus	297.56	K	Relay (1.0) Calculated Property
Vc	0.779	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[297.58; 703.87]	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			-1.42900e+00
Coefficient B			1.28830e+00
Coefficient C			-7.53700e-04
Coefficient D			1.70700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	297.58	J/mol×K	273.00	Calculated Property
Cp,gas	367.57	J/mol×K	353.78	Calculated Property
Cp,gas	430.09	J/mol×K	434.56	Calculated Property
Cp,gas	485.68	J/mol×K	515.33	Calculated Property
Cp,gas	534.87	J/mol×K	596.11	Calculated Property
Cp,gas	578.22	J/mol×K	676.89	Calculated Property
Cp,gas	616.25	J/mol×K	757.67	Calculated Property
Cp,gas	649.51	J/mol×K	838.44	Calculated Property
Cp,gas	678.54	J/mol×K	919.22	Calculated Property
Cp,gas	703.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0043666; 0.0003001]	Pa×s	[287.78; 512.77]	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			-1.15362e+01
Coefficient B			1.75615e+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.			287.78
Temperature range, max.			512.77
η	0.0043666	Pa×s	287.78	Calculated Property
η	0.0026811	Pa×s	312.78	Calculated Property
η	0.0017695	Pa×s	337.78	Calculated Property
η	0.0012367	Pa×s	362.78	Calculated Property
η	0.0009051	Pa×s	387.78	Calculated Property
η	0.0006880	Pa×s	412.78	Calculated Property
η	0.0005396	Pa×s	437.78	Calculated Property
η	0.0004345	Pa×s	462.78	Calculated Property
η	0.0003577	Pa×s	487.77	Calculated Property
η	0.0003001	Pa×s	512.77	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[425.92; 609.77]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42956e+01
Coefficient B			-4.60543e+03
Coefficient C			-9.71500e+01
Temperature range, min.			425.92
Temperature range, max.			609.77
Pvap	1.33	kPa	425.92	Calculated Property
Pvap	3.03	kPa	446.35	Calculated Property
Pvap	6.27	kPa	466.78	Calculated Property
Pvap	12.04	kPa	487.20	Calculated Property
Pvap	21.67	kPa	507.63	Calculated Property
Pvap	36.89	kPa	528.06	Calculated Property
Pvap	59.84	kPa	548.49	Calculated Property
Pvap	93.08	kPa	568.91	Calculated Property
Pvap	139.58	kPa	589.34	Calculated Property
Pvap	202.66	kPa	609.77	Calculated Property

Similar Compounds

Find more compounds similar to 13-Tetradecenal.

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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