Chemical Properties of cis-Phytol

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-/m1/s1

InChI Key

BOTWFXYSPFMFNR-ITKMZDMZSA-N

Formula

C20H40O

SMILES

C/C(=C/CO)CCC[C@H](C)CCC[C@H](C)CCCC(C)C

Molecular Weight¹

296.54

Other Names

• (Z)-Phytol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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
ω	0.8710		Relay (1.0) Calculated Property
ΔfusH°	39.97	kJ/mol	Joback Calculated Property
ΔvapH°	104.94	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.69		Relay (1.0) 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	[2086.00; 2114.00]
Inp	2114.00		NIST
Inp	Outlier 2086.00		NIST
Inp	2112.00		NIST
Inp	2113.00		NIST
Inp	2113.00		NIST
Inp	2114.00		NIST
Inp	2113.00		NIST
Inp	2114.00		NIST
Inp	2114.00		NIST
Inp	Outlier 2086.00		NIST
Inp	2114.00		NIST
Inp	2112.00		NIST
I	[2555.00; 2573.00]
I	2570.00		NIST
I	2573.00		NIST
I	2555.00		NIST
I	2570.00		NIST
I	2570.00		NIST
I	2555.00		NIST
Tboil	610.13	K	Relay (1.0) Calculated Property
Tc	785.40	K	Relay (1.0) Calculated Property
Tfus	255.56	K	Relay (1.0) Calculated Property
Vc	1.069	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Ionization energy 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	[904.50; 1006.07]	J/mol×K	[752.10; 927.18]
Cp,gas	904.50	J/mol×K	752.10	Joback Calculated Property
Cp,gas	923.52	J/mol×K	781.28	Joback Calculated Property
Cp,gas	941.65	J/mol×K	810.46	Joback Calculated Property
Cp,gas	958.92	J/mol×K	839.64	Joback Calculated Property
Cp,gas	975.39	J/mol×K	868.82	Joback Calculated Property
Cp,gas	991.09	J/mol×K	898.00	Joback Calculated Property
Cp,gas	1006.07	J/mol×K	927.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Phytol.

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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