Chemical Properties of cis-phytyl acetate

InChI

InChI=1S/C22H42O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h16,18-20H,7-15,17H2,1-6H3/b21-16-

InChI Key

JIGCTXHIECXYRJ-PGMHBOJBSA-N

Formula

C22H42O2

SMILES

CC(=O)OC/C=C(/C)CCCC(C)CCCC(C)CCCC(C)C

Molecular Weight¹

338.58

• 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_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	45.43	kJ/mol	Joback Calculated Property
ΔvapH°	104.30	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.11		Relay (1.0) Calculated Property
logPoct/wat	6.935		Crippen Calculated Property
McVol	323.980	ml/mol	McGowan Calculated Property
Pc	950.25	kPa	Joback Calculated Property
Ip	[2491.00; 2492.00]
Ip	2491.00		NIST
Ip	2491.00		NIST
Ip	2492.00		NIST
Tboil	604.30	K	Relay (1.0) Calculated Property
Tc	780.67	K	Relay (1.0) Calculated Property
Tfus	230.52	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[473.73; 1133.20]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.06200e+01
Coefficient B			2.07672e+00
Coefficient C			-1.17410e-03
Coefficient D			2.41200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	473.73	J/mol×K	273.00	Calculated Property
Cp,gas	587.81	J/mol×K	353.78	Calculated Property
Cp,gas	689.91	J/mol×K	434.56	Calculated Property
Cp,gas	780.79	J/mol×K	515.33	Calculated Property
Cp,gas	861.21	J/mol×K	596.11	Calculated Property
Cp,gas	931.95	J/mol×K	676.89	Calculated Property
Cp,gas	993.75	J/mol×K	757.67	Calculated Property
Cp,gas	1047.38	J/mol×K	838.44	Calculated Property
Cp,gas	1093.61	J/mol×K	919.22	Calculated Property
Cp,gas	1133.20	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to cis-phytyl acetate.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.