Chemical Properties of 2-tridecenal (CAS 7774-82-5)

InChI

InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-13H,2-10H2,1H3

InChI Key

VMUNAKQXJLHODT-UHFFFAOYSA-N

Formula

C13H24O

SMILES

CCCCCCCCCCC=CC=O

Molecular Weight¹

196.33

CAS

7774-82-5

Other Names

• Tridec-2-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	0.6461		Relay (1.0) Calculated Property
ΔfG°	39.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-309.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.92	kJ/mol	Joback Calculated Property
ΔvapH°	76.12	kJ/mol	Relay (1.0) Calculated Property
IE	9.55	eV	Relay (1.0) Calculated Property
log10WS	-5.03		Relay (1.0) Calculated Property
logPoct/wat	4.272		Crippen Calculated Property
McVol	191.300	ml/mol	McGowan Calculated Property
Pc	1826.28	kPa	Joback Calculated Property
Inp	[1545.00; 1553.00]
Inp	1553.00		NIST
Inp	1553.00		NIST
Inp	1545.00		NIST
Inp	1553.00		NIST
Inp	1545.00		NIST
Ip	[1868.00; 1868.00]
Ip	1868.00		NIST
Ip	1868.00		NIST
Ip	1868.00		NIST
Tboil	532.25	K	Relay (1.0) Calculated Property
Tc	732.32	K	Relay (1.0) Calculated Property
Tfus	268.93	K	Relay (1.0) Calculated Property
Vc	0.730	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[272.17; 650.21]	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			-1.17110e+01
Coefficient B			1.23332e+00
Coefficient C			-7.60200e-04
Coefficient D			1.88800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	272.17	J/mol×K	273.00	Calculated Property
Cp,gas	337.82	J/mol×K	353.78	Calculated Property
Cp,gas	396.17	J/mol×K	434.56	Calculated Property
Cp,gas	447.81	J/mol×K	515.33	Calculated Property
Cp,gas	493.34	J/mol×K	596.11	Calculated Property
Cp,gas	533.36	J/mol×K	676.89	Calculated Property
Cp,gas	568.45	J/mol×K	757.67	Calculated Property
Cp,gas	599.23	J/mol×K	838.44	Calculated Property
Cp,gas	626.28	J/mol×K	919.22	Calculated Property
Cp,gas	650.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045438; 0.0002592]	Pa×s	[273.19; 505.27]	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			-1.16292e+01
Coefficient B			1.70339e+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.			273.19
Temperature range, max.			505.27
η	0.0045438	Pa×s	273.19	Calculated Property
η	0.0026537	Pa×s	298.98	Calculated Property
η	0.0016881	Pa×s	324.76	Calculated Property
η	0.0011477	Pa×s	350.55	Calculated Property
η	0.0008227	Pa×s	376.34	Calculated Property
η	0.0006154	Pa×s	402.13	Calculated Property
η	0.0004768	Pa×s	427.91	Calculated Property
η	0.0003802	Pa×s	453.70	Calculated Property
η	0.0003107	Pa×s	479.49	Calculated Property
η	0.0002592	Pa×s	505.27	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[412.32; 592.43]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42344e+01
Coefficient B			-4.46152e+03
Coefficient C			-9.24240e+01
Temperature range, min.			412.32
Temperature range, max.			592.43
Pvap	1.33	kPa	412.32	Calculated Property
Pvap	3.03	kPa	432.33	Calculated Property
Pvap	6.29	kPa	452.34	Calculated Property
Pvap	12.08	kPa	472.36	Calculated Property
Pvap	21.74	kPa	492.37	Calculated Property
Pvap	36.99	kPa	512.38	Calculated Property
Pvap	59.97	kPa	532.39	Calculated Property
Pvap	93.23	kPa	552.41	Calculated Property
Pvap	139.69	kPa	572.42	Calculated Property
Pvap	202.64	kPa	592.43	Calculated Property

Similar Compounds

Find more compounds similar to 2-tridecenal.

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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