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 : 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°	79.80	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
I	1964.00		NIST
Tboil	550.84	K	Relay (1.0) Calculated Property
Tc	741.05	K	Relay (1.0) Calculated Property
Tfus	300.90	K	Relay (1.0) Calculated Property
Vc	0.775	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[516.68; 604.83]	J/mol×K	[565.06; 732.27]
Cp,gas	516.68	J/mol×K	565.06	Joback Calculated Property
Cp,gas	533.05	J/mol×K	592.93	Joback Calculated Property
Cp,gas	548.72	J/mol×K	620.80	Joback Calculated Property
Cp,gas	563.71	J/mol×K	648.67	Joback Calculated Property
Cp,gas	578.04	J/mol×K	676.54	Joback Calculated Property
Cp,gas	591.74	J/mol×K	704.41	Joback Calculated Property
Cp,gas	604.83	J/mol×K	732.27	Joback Calculated Property
η	[0.0002186; 0.0043666]	Pa×s	[287.78; 565.06]
η	0.0043666	Pa×s	287.78	Joback Calculated Property
η	0.0018769	Pa×s	333.99	Joback Calculated Property
η	0.0009906	Pa×s	380.21	Joback Calculated Property
η	0.0006005	Pa×s	426.42	Joback Calculated Property
η	0.0004014	Pa×s	472.63	Joback Calculated Property
η	0.0002883	Pa×s	518.85	Joback Calculated Property
η	0.0002186	Pa×s	565.06	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[425.92; 609.77]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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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