Chemical Properties of Phytyl decanoate

InChI

InChI=1S/C30H58O2/c1-7-8-9-10-11-12-13-23-30(31)32-25-24-29(6)22-16-21-28(5)20-15-19-27(4)18-14-17-26(2)3/h24,26-28H,7-23,25H2,1-6H3/b29-24+

InChI Key

VQNBYXCYEWSWMZ-RMLRFSFXSA-N

Formula

C30H58O2

SMILES

CCCCCCCCCC(=O)OC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C

Molecular Weight¹

450.79

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• 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
ΔfH°gas	-941.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.15	kJ/mol	Joback Calculated Property
ΔvapH°	125.26	kJ/mol	Relay (1.0) Calculated Property
log10WS	-9.56		Relay (1.0) Calculated Property
logPoct/wat	10.056		Crippen Calculated Property
McVol	436.700	ml/mol	McGowan Calculated Property
Pc	621.27	kPa	Joback Calculated Property
Inp	[2956.90; 2956.90]
Inp	2956.90		NIST
Inp	2956.90		NIST
Tboil	662.73	K	Relay (1.0) Calculated Property
Tc	848.21	K	Relay (1.0) Calculated Property
Tfus	248.35	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1510.90; 1634.70]	J/mol×K	[946.94; 1165.20]
Cp,gas	1510.90	J/mol×K	946.94	Joback Calculated Property
Cp,gas	1535.29	J/mol×K	983.32	Joback Calculated Property
Cp,gas	1558.05	J/mol×K	1019.69	Joback Calculated Property
Cp,gas	1579.27	J/mol×K	1056.07	Joback Calculated Property
Cp,gas	1599.06	J/mol×K	1092.45	Joback Calculated Property
Cp,gas	1617.50	J/mol×K	1128.82	Joback Calculated Property
Cp,gas	1634.70	J/mol×K	1165.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phytyl decanoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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