Chemical Properties of Phytyl tetradecanoate

InChI

InChI=1S/C34H66O2/c1-7-8-9-10-11-12-13-14-15-16-17-27-34(35)36-29-28-33(6)26-20-25-32(5)24-19-23-31(4)22-18-21-30(2)3/h28,30-32H,7-27,29H2,1-6H3/b33-28+

InChI Key

QYGFRANKWSAZOD-PJJLUWSFSA-N

Formula

C34H66O2

SMILES

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

Molecular Weight¹

506.90

• 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	-1025.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	76.51	kJ/mol	Joback Calculated Property
ΔvapH°	141.34	kJ/mol	Relay (1.0) Calculated Property
log10WS	-10.67		Relay (1.0) Calculated Property
logPoct/wat	11.616		Crippen Calculated Property
McVol	493.060	ml/mol	McGowan Calculated Property
Pc	517.47	kPa	Joback Calculated Property
Inp	[3361.90; 3361.90]
Inp	3361.90		NIST
Inp	3361.90		NIST
Tboil	689.05	K	Relay (1.0) Calculated Property
Tc	874.50	K	Relay (1.0) Calculated Property
Tfus	258.58	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[728.29; 1752.29]	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			-2.15280e+01
Coefficient B			3.21672e+00
Coefficient C			-1.82690e-03
Coefficient D			3.84000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	728.29	J/mol×K	273.00	Calculated Property
Cp,gas	904.83	J/mol×K	353.78	Calculated Property
Cp,gas	1062.84	J/mol×K	434.56	Calculated Property
Cp,gas	1203.54	J/mol×K	515.33	Calculated Property
Cp,gas	1328.15	J/mol×K	596.11	Calculated Property
Cp,gas	1437.88	J/mol×K	676.89	Calculated Property
Cp,gas	1533.94	J/mol×K	757.67	Calculated Property
Cp,gas	1617.56	J/mol×K	838.44	Calculated Property
Cp,gas	1689.94	J/mol×K	919.22	Calculated Property
Cp,gas	1752.29	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Phytyl tetradecanoate.

Sources

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

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