Chemical Properties of Triacontanal, 12-methyl

InChI

InChI=1S/C31H62O/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-25-28-31(2)29-26-23-20-17-15-18-21-24-27-30-32/h30-31H,3-29H2,1-2H3

InChI Key

RNMRAWWQHFHBND-UHFFFAOYSA-N

Formula

C31H62O

SMILES

CCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCC=O

Molecular Weight¹

450.84

• 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.
• 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	1.2662		Relay (1.0) Calculated Property
ΔfG°	108.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-800.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	74.81	kJ/mol	Joback Calculated Property
ΔvapH°	155.40	kJ/mol	Relay (1.0) Calculated Property
IE	10.12	eV	Relay (1.0) Calculated Property
log10WS	-10.46		Relay (1.0) Calculated Property
logPoct/wat	11.374		Crippen Calculated Property
McVol	449.220	ml/mol	McGowan Calculated Property
Pc	591.42	kPa	Joback Calculated Property
Inp	[3261.00; 3261.00]
Inp	3261.00		NIST
Inp	3261.00		NIST
Tboil	670.35	K	Relay (1.0) Calculated Property
Tc	861.68	K	Relay (1.0) Calculated Property
Tfus	323.83	K	Relay (1.0) Calculated Property
Vc	1.728	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1579.81; 1719.34]	J/mol×K	[957.10; 1189.48]
Cp,gas	1579.81	J/mol×K	957.10	Joback Calculated Property
Cp,gas	1607.13	J/mol×K	995.83	Joback Calculated Property
Cp,gas	1632.67	J/mol×K	1034.56	Joback Calculated Property
Cp,gas	1656.53	J/mol×K	1073.29	Joback Calculated Property
Cp,gas	1678.85	J/mol×K	1112.02	Joback Calculated Property
Cp,gas	1699.74	J/mol×K	1150.75	Joback Calculated Property
Cp,gas	1719.34	J/mol×K	1189.48	Joback Calculated Property
η	[0.0000201; 0.0009070]	Pa×s	[466.13; 957.10]
η	0.0009070	Pa×s	466.13	Joback Calculated Property
η	0.0002994	Pa×s	547.96	Joback Calculated Property
η	0.0001318	Pa×s	629.79	Joback Calculated Property
η	0.0000701	Pa×s	711.62	Joback Calculated Property
η	0.0000424	Pa×s	793.44	Joback Calculated Property
η	0.0000282	Pa×s	875.27	Joback Calculated Property
η	0.0000201	Pa×s	957.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Triacontanal, 12-methyl.

Sources

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

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