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)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C

Molecular Weight¹

450.78

• 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.
• 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°	32.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-815.74	kJ/mol	Joback Calculated Property
ΔfusH°	64.57	kJ/mol	Joback Calculated Property
ΔvapH°	90.40	kJ/mol	Joback Calculated Property
log10WS	-10.37		Crippen Calculated Property
logPoct/wat	10.056		Crippen Calculated Property
McVol	436.700	ml/mol	McGowan Calculated Property
Pc	634.16	kPa	Joback Calculated Property
Inp	[2956.90; 2956.90]
Inp	2956.90		NIST
Inp	2956.90		NIST
Tboil	964.81	K	Joback Calculated Property
Tc	1188.51	K	Joback Calculated Property
Tfus	435.98	K	Joback Calculated Property
Vc	1.702	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1522.05; 1647.57]	J/mol×K	[964.81; 1188.51]
Cp,gas	1522.05	J/mol×K	964.81	Joback Calculated Property
Cp,gas	1546.68	J/mol×K	1002.09	Joback Calculated Property
Cp,gas	1569.69	J/mol×K	1039.38	Joback Calculated Property
Cp,gas	1591.18	J/mol×K	1076.66	Joback Calculated Property
Cp,gas	1611.25	J/mol×K	1113.94	Joback Calculated Property
Cp,gas	1630.02	J/mol×K	1151.23	Joback Calculated Property
Cp,gas	1647.57	J/mol×K	1188.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phytyl decanoate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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