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-

• 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).
• 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
ΔfG°	-34.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-423.15	kJ/mol	Joback Calculated Property
ΔfusH°	30.78	kJ/mol	Joback Calculated Property
ΔvapH°	53.09	kJ/mol	Joback Calculated Property
log10WS	-4.72		Crippen 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	1863.00		NIST
I	1883.00		NIST
Tboil	567.94	K	Joback Calculated Property
Tc	735.40	K	Joback Calculated Property
Tfus	274.54	K	Joback Calculated Property
Vc	0.831	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[537.53; 630.19]	J/mol×K	[567.94; 735.40]
Cp,gas	537.53	J/mol×K	567.94	Joback Calculated Property
Cp,gas	554.70	J/mol×K	595.85	Joback Calculated Property
Cp,gas	571.15	J/mol×K	623.76	Joback Calculated Property
Cp,gas	586.91	J/mol×K	651.67	Joback Calculated Property
Cp,gas	601.99	J/mol×K	679.58	Joback Calculated Property
Cp,gas	616.41	J/mol×K	707.49	Joback Calculated Property
Cp,gas	630.19	J/mol×K	735.40	Joback Calculated Property
η	[0.0001986; 0.0065661]	Pa×s	[274.54; 567.94]
η	0.0065661	Pa×s	274.54	Joback Calculated Property
η	0.0023587	Pa×s	323.44	Joback Calculated Property
η	0.0011087	Pa×s	372.34	Joback Calculated Property
η	0.0006210	Pa×s	421.24	Joback Calculated Property
η	0.0003924	Pa×s	470.14	Joback Calculated Property
η	0.0002704	Pa×s	519.04	Joback Calculated Property
η	0.0001986	Pa×s	567.94	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[420.60; 587.99]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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