Chemical Properties of Phytyl dodecanoate

InChI

InChI=1S/C32H62O2/c1-7-8-9-10-11-12-13-14-15-25-32(33)34-27-26-31(6)24-18-23-30(5)22-17-21-29(4)20-16-19-28(2)3/h26,28-30H,7-25,27H2,1-6H3/b31-26+

InChI Key

AGWFXWWNJHQGIB-GKPLWNPISA-N

Formula

C32H62O2

SMILES

CCCCCCCCCCCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C

Molecular Weight¹

478.83

• 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°	48.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-857.02	kJ/mol	Joback Calculated Property
ΔfusH°	69.75	kJ/mol	Joback Calculated Property
ΔvapH°	94.86	kJ/mol	Joback Calculated Property
log10WS	-11.21		Crippen Calculated Property
logPoct/wat	10.836		Crippen Calculated Property
McVol	464.880	ml/mol	McGowan Calculated Property
Pc	577.02	kPa	Joback Calculated Property
Inp	[3160.70; 3160.70]
Inp	3160.70		NIST
Inp	3160.70		NIST
Tboil	1010.57	K	Joback Calculated Property
Tc	1255.38	K	Joback Calculated Property
Tfus	458.52	K	Joback Calculated Property
Vc	1.815	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1655.69; 1788.66]	J/mol×K	[1010.57; 1255.38]
Cp,gas	1655.69	J/mol×K	1010.57	Joback Calculated Property
Cp,gas	1682.10	J/mol×K	1051.37	Joback Calculated Property
Cp,gas	1706.62	J/mol×K	1092.17	Joback Calculated Property
Cp,gas	1729.39	J/mol×K	1132.98	Joback Calculated Property
Cp,gas	1750.56	J/mol×K	1173.78	Joback Calculated Property
Cp,gas	1770.27	J/mol×K	1214.58	Joback Calculated Property
Cp,gas	1788.66	J/mol×K	1255.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phytyl dodecanoate.

Sources

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

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