Chemical Properties of Phytol (CAS 150-86-7)

InChI

InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m0/s1

InChI Key

BOTWFXYSPFMFNR-PFIWFTBQSA-N

Formula

C20H40O

SMILES

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

Molecular Weight¹

296.53

CAS

150-86-7

Other Names

• 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, [R-[R*,R*-(E)]]-
• trans-Phytol
• 3,7,11,15-Tetramethyl-2-hexadecen-1-ol-, (2E,7R,11R)-
• (2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-ol
• 3,7,11,15-teramethyl-2-hexadecene-1-ol-, (2E,7R,11R)-
• (E)-Phytol
• 3,7,11,15-Tetramethyl-2-hexadecen-1-ol
• 3,7,11,15-teramethyl-2-hexadecene-1-ol
• 3,7,11,15-tetramethylhexadec-2-en-1-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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°	45.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-516.77	kJ/mol	Joback Calculated Property
ΔfusH°	39.97	kJ/mol	Joback Calculated Property
ΔvapH°	75.67	kJ/mol	Joback Calculated Property
log10WS	-6.59		Crippen Calculated Property
logPoct/wat	6.364		Crippen Calculated Property
McVol	294.230	ml/mol	McGowan Calculated Property
Pc	1137.50	kPa	Joback Calculated Property
Inp	[2070.00; 2148.00]
Inp	2122.00		NIST
Inp	2105.00		NIST
Inp	2097.00		NIST
Inp	2105.00		NIST
Inp	2106.00		NIST
Inp	Outlier 2080.00		NIST
Inp	2105.00		NIST
Inp	2119.00		NIST
Inp	2111.00		NIST
Inp	2104.00		NIST
Inp	Outlier 2148.00		NIST
Inp	2116.00		NIST
Inp	2119.80		NIST
Inp	2114.00		NIST
Inp	2110.00		NIST
Inp	2099.00		NIST
Inp	2112.90		NIST
Inp	2115.60		NIST
Inp	2117.70		NIST
Inp	2098.00		NIST
Inp	2100.00		NIST
Inp	2135.00		NIST
Inp	2105.00		NIST
Inp	2138.00		NIST
Inp	2103.00		NIST
Inp	2135.00		NIST
Inp	2096.00		NIST
Inp	2105.00		NIST
Inp	2112.00		NIST
Inp	2101.00		NIST
Inp	2101.00		NIST
Inp	2114.00		NIST
Inp	2112.00		NIST
Inp	2114.00		NIST
Inp	2122.00		NIST
Inp	2102.00		NIST
Inp	2084.00		NIST
Inp	Outlier 2070.00		NIST
Inp	2084.00		NIST
Inp	2111.00		NIST
Inp	2113.90		NIST
Inp	2128.00		NIST
Inp	2128.00		NIST
Inp	2110.00		NIST
Inp	2125.00		NIST
Inp	2112.00		NIST
Inp	2109.00		NIST
Inp	2111.00		NIST
Inp	2106.00		NIST
Inp	2105.00		NIST
Inp	2117.00		NIST
Inp	2098.00		NIST
Inp	2108.00		NIST
Inp	2096.00		NIST
Inp	2100.00		NIST
Inp	Outlier 2142.00		NIST
Inp	2127.00		NIST
Inp	2135.00		NIST
Inp	2103.00		NIST
Inp	2091.00		NIST
Inp	2107.00		NIST
Inp	2107.00		NIST
Inp	2111.00		NIST
Inp	2121.00		NIST
Inp	2090.00		NIST
Inp	2102.00		NIST
Inp	2106.00		NIST
Inp	2123.00		NIST
Inp	2135.00		NIST
Inp	2106.00		NIST
Inp	2116.00		NIST
Inp	2106.00		NIST
Inp	2120.00		NIST
Inp	2116.00		NIST
Inp	2114.00		NIST
Inp	2108.00		NIST
Inp	2086.00		NIST
Inp	2111.00		NIST
Inp	2112.00		NIST
Inp	2114.00		NIST
Inp	2110.00		NIST
Inp	2091.00		NIST
Inp	2105.00		NIST
Inp	2106.00		NIST
Inp	2097.00		NIST
Inp	2105.00		NIST
Inp	2110.00		NIST
Inp	Outlier 2145.00		NIST
Inp	Outlier 2147.00		NIST
Inp	2106.00		NIST
Inp	2116.00		NIST
Inp	2119.00		NIST
Inp	2128.00		NIST
Inp	2119.00		NIST
Inp	2119.00		NIST
Inp	2138.00		NIST
Inp	2107.00		NIST
Inp	2111.00		NIST
Inp	2083.00		NIST
Inp	2110.00		NIST
Inp	2087.00		NIST
Inp	2114.00		NIST
Inp	2135.00		NIST
Inp	2089.00		NIST
Inp	2100.00		NIST
Inp	2100.00		NIST
Inp	Outlier 2076.00		NIST
Inp	2118.00		NIST
Inp	2108.00		NIST
Inp	2130.00		NIST
Inp	2112.00		NIST
Inp	2117.00		NIST
Inp	Outlier 2142.00		NIST
Inp	2107.00		NIST
Inp	2102.00		NIST
Inp	2116.00		NIST
Inp	2108.00		NIST
Inp	2110.00		NIST
Inp	2105.00		NIST
Inp	2122.00		NIST
Inp	Outlier 2080.00		NIST
Inp	2113.90		NIST
Inp	2119.00		NIST
Inp	2119.80		NIST
Inp	2115.60		NIST
Inp	Outlier 2070.00		NIST
Inp	Outlier 2145.00		NIST
Inp	2128.00		NIST
Inp	2111.00		NIST
Inp	2135.00		NIST
Inp	2118.00		NIST
I	[2593.00; 2633.00]
I	2633.00		NIST
I	2604.00		NIST
I	2605.00		NIST
I	Outlier 2599.00		NIST
I	Outlier 2593.00		NIST
I	2622.00		NIST
I	2611.00		NIST
I	Outlier 2603.00		NIST
I	2611.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2620.00		NIST
I	2619.00		NIST
I	2622.00		NIST
I	Outlier 2600.00		NIST
I	2606.00		NIST
I	2606.00		NIST
I	2610.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2617.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2615.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	2622.00		NIST
I	Outlier 2603.00		NIST
I	2619.00		NIST
I	2610.00		NIST
I	2617.00		NIST
I	2622.00		NIST
I	2633.00		NIST
Tboil	751.90	K	Joback Calculated Property
Tc	926.94	K	Joback Calculated Property
Tfus	311.94	K	Joback Calculated Property
Vc	1.137	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[904.37; 1005.95]	J/mol×K	[751.90; 926.94]
Cp,gas	904.37	J/mol×K	751.90	Joback Calculated Property
Cp,gas	923.39	J/mol×K	781.07	Joback Calculated Property
Cp,gas	941.52	J/mol×K	810.25	Joback Calculated Property
Cp,gas	958.79	J/mol×K	839.42	Joback Calculated Property
Cp,gas	975.26	J/mol×K	868.59	Joback Calculated Property
Cp,gas	990.97	J/mol×K	897.76	Joback Calculated Property
Cp,gas	1005.95	J/mol×K	926.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phytol.

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.
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