Chemical Properties of 2-Tridecenal, (E)- (CAS 7069-41-2)

InChI

InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-13H,2-10H2,1H3/b12-11+

InChI Key

VMUNAKQXJLHODT-VAWYXSNFSA-N

Formula

C13H24O

SMILES

CCCCCCCCCCC=CC=O

Molecular Weight¹

196.33

CAS

7069-41-2

Other Names

• (2E)-2-Tridecenal
• (E)-2-Tridecenal
• (E)-Tridec-2-enal
• (E)-tridecen-2-al

• 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).
• 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	0.6461		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	[1541.00; 1571.00]
Inp	1544.00		NIST
Inp	1541.00		NIST
Inp	1541.00		NIST
Inp	1571.00		NIST
Inp	1544.00		NIST
Inp	1571.00		NIST
Inp	1541.00		NIST
I	[1956.00; 1983.00]
I	1974.00		NIST
I	1982.00		NIST
I	1983.00		NIST
I	1969.00		NIST
I	Outlier 1956.00		NIST
I	1982.00		NIST
I	1974.00		NIST
I	1969.00		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
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

Similar Compounds

Find more compounds similar to 2-Tridecenal, (E)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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