Chemical Properties of Heneicosane, 3-methyl- (CAS 6418-47-9)

InChI

InChI=1S/C22H46/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(3)5-2/h22H,4-21H2,1-3H3

InChI Key

OSJUENOXPFOHLF-UHFFFAOYSA-N

Formula

C22H46

SMILES

CCCCCCCCCCCCCCCCCCC(C)CC

Molecular Weight¹

310.60

CAS

6418-47-9

Other Names

• 3-Methylheneicosane
• 3-Methylhenicosane

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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°	131.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-502.69	kJ/mol	Joback Calculated Property
ΔfusH°	49.21	kJ/mol	Joback Calculated Property
ΔvapH°	64.18	kJ/mol	Joback Calculated Property
log10WS	-8.79		Crippen Calculated Property
logPoct/wat	8.684		Crippen Calculated Property
McVol	320.840	ml/mol	McGowan Calculated Property
Pc	906.15	kPa	Joback Calculated Property
Inp	[2168.50; 2174.30]
Inp	2172.00		NIST
Inp	Outlier 2168.50		NIST
Inp	2171.30		NIST
Inp	2171.00		NIST
Inp	2172.00		NIST
Inp	2174.00		NIST
Inp	2173.00		NIST
Inp	2174.00		NIST
Inp	2174.30		NIST
Inp	2174.00		NIST
Inp	2174.00		NIST
Inp	2174.00		NIST
Inp	2169.00		NIST
Inp	2174.00		NIST
I	2169.30		NIST
Tboil	702.32	K	Joback Calculated Property
Tc	867.26	K	Joback Calculated Property
Tfus	292.80 ± 2.00	K	NIST
Vc	1.262	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[962.39; 1080.72]	J/mol×K	[702.32; 867.26]
Cp,gas	962.39	J/mol×K	702.32	Joback Calculated Property
Cp,gas	984.38	J/mol×K	729.81	Joback Calculated Property
Cp,gas	1005.42	J/mol×K	757.30	Joback Calculated Property
Cp,gas	1025.55	J/mol×K	784.79	Joback Calculated Property
Cp,gas	1044.78	J/mol×K	812.28	Joback Calculated Property
Cp,gas	1063.16	J/mol×K	839.77	Joback Calculated Property
Cp,gas	1080.72	J/mol×K	867.26	Joback Calculated Property
η	[0.0000698; 0.0040182]	Pa×s	[322.70; 702.32]
η	0.0040182	Pa×s	322.70	Joback Calculated Property
η	0.0011754	Pa×s	385.97	Joback Calculated Property
η	0.0004861	Pa×s	449.24	Joback Calculated Property
η	0.0002500	Pa×s	512.51	Joback Calculated Property
η	0.0001488	Pa×s	575.78	Joback Calculated Property
η	0.0000982	Pa×s	639.05	Joback Calculated Property
η	0.0000698	Pa×s	702.32	Joback Calculated Property
ΔvapH	74.40	kJ/mol	557.50	NIST

Similar Compounds

Find more compounds similar to Heneicosane, 3-methyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.