Chemical Properties of 12-methyltridecanal (CAS 75853-49-5)

InChI

InChI=1S/C14H28O/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h13-14H,3-12H2,1-2H3

InChI Key

OQWNKUAZQSLNSR-UHFFFAOYSA-N

Formula

C14H28O

SMILES

CC(C)CCCCCCCCCCC=O

Molecular Weight¹

212.37

CAS

75853-49-5

Other Names

• Tridecanal, 12-methyl-

• 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	0.6914		Relay (1.0) Calculated Property
ΔfG°	-34.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-446.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.78	kJ/mol	Joback Calculated Property
ΔvapH°	77.42	kJ/mol	Relay (1.0) Calculated Property
IE	9.69	eV	Relay (1.0) Calculated Property
log10WS	-5.52		Relay (1.0) Calculated Property
logPoct/wat	4.742		Crippen Calculated Property
McVol	209.690	ml/mol	McGowan Calculated Property
Pc	1625.91	kPa	Joback Calculated Property
Inp	[1576.00; 1576.00]
Inp	1576.00		NIST
Inp	1576.00		NIST
I	[1863.00; 1889.00]
I	1883.00		NIST
I	1884.00		NIST
I	1889.00		NIST
I	1871.00		NIST
I	1863.00		NIST
I	1883.00		NIST
I	1863.00		NIST
Tboil	544.11	K	Relay (1.0) Calculated Property
Tc	730.17	K	Relay (1.0) Calculated Property
Tfus	290.34	K	Relay (1.0) Calculated Property
Vc	0.796	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[307.07; 732.92]	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			-1.20000e-01
Coefficient B			1.31424e+00
Coefficient C			-7.34000e-04
Coefficient D			1.52800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	307.07	J/mol×K	273.00	Calculated Property
Cp,gas	379.73	J/mol×K	353.78	Calculated Property
Cp,gas	444.92	J/mol×K	434.56	Calculated Property
Cp,gas	503.14	J/mol×K	515.33	Calculated Property
Cp,gas	554.85	J/mol×K	596.11	Calculated Property
Cp,gas	600.56	J/mol×K	676.89	Calculated Property
Cp,gas	640.74	J/mol×K	757.67	Calculated Property
Cp,gas	675.87	J/mol×K	838.44	Calculated Property
Cp,gas	706.43	J/mol×K	919.22	Calculated Property
Cp,gas	732.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0065661; 0.0002781]	Pa×s	[274.54; 514.96]	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			-1.17976e+01
Coefficient B			1.85913e+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.			274.54
Temperature range, max.			514.96
η	0.0065661	Pa×s	274.54	Calculated Property
η	0.0036018	Pa×s	301.25	Calculated Property
η	0.0021788	Pa×s	327.97	Calculated Property
η	0.0014216	Pa×s	354.68	Calculated Property
η	0.0009848	Pa×s	381.39	Calculated Property
η	0.0007158	Pa×s	408.11	Calculated Property
η	0.0005410	Pa×s	434.82	Calculated Property
η	0.0004224	Pa×s	461.54	Calculated Property
η	0.0003389	Pa×s	488.25	Calculated Property
η	0.0002781	Pa×s	514.96	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[420.60; 587.99]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.51267e+01
Coefficient B			-4.85293e+03
Coefficient C			-9.35630e+01
Temperature range, min.			420.60
Temperature range, max.			587.99
Pvap	1.33	kPa	420.60	Calculated Property
Pvap	2.96	kPa	439.20	Calculated Property
Pvap	6.07	kPa	457.80	Calculated Property
Pvap	11.59	kPa	476.40	Calculated Property
Pvap	20.86	kPa	495.00	Calculated Property
Pvap	35.62	kPa	513.59	Calculated Property
Pvap	58.14	kPa	532.19	Calculated Property
Pvap	91.19	kPa	550.79	Calculated Property
Pvap	138.07	kPa	569.39	Calculated Property
Pvap	202.64	kPa	587.99	Calculated Property

Similar Compounds

Find more compounds similar to 12-methyltridecanal.

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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