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

Molecular Weight¹

478.85

• 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	-983.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.75	kJ/mol	Joback Calculated Property
ΔvapH°	133.25	kJ/mol	Relay (1.0) Calculated Property
log10WS	-10.12		Relay (1.0) 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	676.00	K	Relay (1.0) Calculated Property
Tc	861.76	K	Relay (1.0) Calculated Property
Tfus	253.71	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	[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

• 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.
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