Chemical Properties of 13-Methyltetradecanal (CAS 75853-51-9)

InChI

InChI=1S/C15H30O/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16/h14-15H,3-13H2,1-2H3

InChI Key

KEKMLOYOUUVRDN-UHFFFAOYSA-N

Formula

C15H30O

SMILES

CC(C)CCCCCCCCCCCC=O

Molecular Weight¹

226.40

CAS

75853-51-9

• 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.
• 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	0.7264		Relay (1.0) Calculated Property
ΔfG°	-26.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-468.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.37	kJ/mol	Joback Calculated Property
ΔvapH°	80.21	kJ/mol	Relay (1.0) Calculated Property
IE	9.71	eV	Relay (1.0) Calculated Property
log10WS	-5.89		Relay (1.0) Calculated Property
logPoct/wat	5.132		Crippen Calculated Property
McVol	223.780	ml/mol	McGowan Calculated Property
Pc	1506.98	kPa	Joback Calculated Property
Inp	[1680.30; 1680.30]
Inp	1680.30		NIST
Inp	1680.30		NIST
Tboil	556.58	K	Relay (1.0) Calculated Property
Tc	739.22	K	Relay (1.0) Calculated Property
Tfus	300.03	K	Relay (1.0) Calculated Property
Vc	0.849	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[590.34; 685.70]	J/mol×K	[590.82; 757.55]
Cp,gas	590.34	J/mol×K	590.82	Joback Calculated Property
Cp,gas	608.03	J/mol×K	618.61	Joback Calculated Property
Cp,gas	624.97	J/mol×K	646.40	Joback Calculated Property
Cp,gas	641.18	J/mol×K	674.19	Joback Calculated Property
Cp,gas	656.70	J/mol×K	701.98	Joback Calculated Property
Cp,gas	671.53	J/mol×K	729.77	Joback Calculated Property
Cp,gas	685.70	J/mol×K	757.55	Joback Calculated Property
η	[0.0001793; 0.0061062]	Pa×s	[285.81; 590.82]
η	0.0061062	Pa×s	285.81	Joback Calculated Property
η	0.0021756	Pa×s	336.64	Joback Calculated Property
η	0.0010162	Pa×s	387.48	Joback Calculated Property
η	0.0005663	Pa×s	438.31	Joback Calculated Property
η	0.0003564	Pa×s	489.15	Joback Calculated Property
η	0.0002447	Pa×s	539.98	Joback Calculated Property
η	0.0001793	Pa×s	590.82	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[433.72; 604.36]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.51918e+01
Coefficient B			-5.00182e+03
Coefficient C			-9.81230e+01
Temperature range, min.			433.72
Temperature range, max.			604.36
Pvap	1.33	kPa	433.72	Calculated Property
Pvap	2.96	kPa	452.68	Calculated Property
Pvap	6.05	kPa	471.64	Calculated Property
Pvap	11.56	kPa	490.60	Calculated Property
Pvap	20.80	kPa	509.56	Calculated Property
Pvap	35.53	kPa	528.52	Calculated Property
Pvap	58.02	kPa	547.48	Calculated Property
Pvap	91.05	kPa	566.44	Calculated Property
Pvap	137.96	kPa	585.40	Calculated Property
Pvap	202.64	kPa	604.36	Calculated Property

Similar Compounds

Find more compounds similar to 13-Methyltetradecanal.

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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