Chemical Properties of 1-Phytene

InChI

InChI=1S/C20H40/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,17-20H,1,8-16H2,2-6H3

InChI Key

XQNRAQZFPXUCOT-UHFFFAOYSA-N

Formula

C20H40

SMILES

C=CC(C)CCCC(C)CCCC(C)CCCC(C)C

Molecular Weight¹

280.53

Other Names

• phyt-1-ene
• 3,7,11,15-Tetramethyl-1-hexadecene (1-phytene)

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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
ω	0.6709		Relay (1.0) Calculated Property
ΔfusH°	32.18	kJ/mol	Joback Calculated Property
ΔvapH°	84.95	kJ/mol	Relay (1.0) Calculated Property
IE	9.37	eV	Relay (1.0) Calculated Property
logPoct/wat	7.248		Crippen Calculated Property
McVol	288.360	ml/mol	McGowan Calculated Property
Pc	1065.18	kPa	Joback Calculated Property
Inp	[1776.00; 1833.00]
Inp	Outlier 1833.00		NIST
Inp	1785.00		NIST
Inp	1791.00		NIST
Inp	1785.00		NIST
Inp	Outlier 1833.00		NIST
Inp	1777.00		NIST
Inp	1781.00		NIST
Inp	1790.00		NIST
Inp	1785.00		NIST
Inp	1776.00		NIST
Inp	1795.00		NIST
Inp	1790.00		NIST
Inp	1785.00		NIST
I	1850.00		NIST
Tboil	582.85	K	Relay (1.0) Calculated Property
Tc	724.43	K	Relay (1.0) Calculated Property
Tfus	226.88	K	Relay (1.0) Calculated Property
Vc	1.067	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[818.33; 934.08]	J/mol×K	[652.12; 821.65]
Cp,gas	818.33	J/mol×K	652.12	Joback Calculated Property
Cp,gas	839.93	J/mol×K	680.37	Joback Calculated Property
Cp,gas	860.56	J/mol×K	708.63	Joback Calculated Property
Cp,gas	880.26	J/mol×K	736.88	Joback Calculated Property
Cp,gas	899.06	J/mol×K	765.14	Joback Calculated Property
Cp,gas	916.99	J/mol×K	793.39	Joback Calculated Property
Cp,gas	934.08	J/mol×K	821.65	Joback Calculated Property
η	[0.0000757; 0.0185442]	Pa×s	[253.40; 652.12]
η	0.0185442	Pa×s	253.40	Joback Calculated Property
η	0.0028605	Pa×s	319.85	Joback Calculated Property
η	0.0008394	Pa×s	386.31	Joback Calculated Property
η	0.0003530	Pa×s	452.76	Joback Calculated Property
η	0.0001853	Pa×s	519.21	Joback Calculated Property
η	0.0001126	Pa×s	585.67	Joback Calculated Property
η	0.0000757	Pa×s	652.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Phytene.

Sources

• Cheméo Relay (1.0)
• 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.
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