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

Molecular Weight¹

506.89

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.2406		Relay (1.0) Calculated Property
ΔfG°	65.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-1049.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	74.93	kJ/mol	Joback Calculated Property
ΔvapH°	139.74	kJ/mol	Relay (1.0) Calculated Property
IE	9.10	eV	Relay (1.0) Calculated Property
log10WS	-10.50		Relay (1.0) Calculated Property
logPoct/wat	11.616		Crippen Calculated Property
McVol	493.060	ml/mol	McGowan Calculated Property
Pc	527.26	kPa	Joback Calculated Property
Inp	[3361.90; 3361.90]
Inp	3361.90		NIST
Inp	3361.90		NIST
Tboil	688.76	K	Relay (1.0) Calculated Property
Tc	868.76	K	Relay (1.0) Calculated Property
Tfus	264.50	K	Relay (1.0) Calculated Property
Vc	1.838	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1790.71; 1933.01]	J/mol×K	[1056.33; 1328.14]
Cp,gas	1790.71	J/mol×K	1056.33	Joback Calculated Property
Cp,gas	1819.32	J/mol×K	1101.63	Joback Calculated Property
Cp,gas	1845.69	J/mol×K	1146.93	Joback Calculated Property
Cp,gas	1870.04	J/mol×K	1192.24	Joback Calculated Property
Cp,gas	1892.56	J/mol×K	1237.54	Joback Calculated Property
Cp,gas	1913.49	J/mol×K	1282.84	Joback Calculated Property
Cp,gas	1933.01	J/mol×K	1328.14	Joback 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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