Chemical Properties of Phytyl stearate (CAS 62172-54-7)

InChI

InChI=1S/C38H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-38(39)40-33-32-37(6)30-24-29-36(5)28-23-27-35(4)26-22-25-34(2)3/h32,34-36H,7-31,33H2,1-6H3/b37-32+

InChI Key

GPIMVSWDTKPEPH-BQNXFWFHSA-N

Formula

C38H74O2

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C

Molecular Weight¹

562.99

CAS

62172-54-7

• 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°	99.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-980.86	kJ/mol	Joback Calculated Property
ΔfusH°	85.29	kJ/mol	Joback Calculated Property
ΔvapH°	108.21	kJ/mol	Joback Calculated Property
log10WS	-13.72		Crippen Calculated Property
logPoct/wat	13.177		Crippen Calculated Property
McVol	549.420	ml/mol	McGowan Calculated Property
Pc	445.27	kPa	Joback Calculated Property
Inp	[3751.60; 3751.60]
Inp	3751.60		NIST
Inp	3751.60		NIST
Tboil	1147.85	K	Joback Calculated Property
Tc	1495.61	K	Joback Calculated Property
Tfus	526.14	K	Joback Calculated Property
Vc	2.151	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[2064.04; 2233.76]	J/mol×K	[1147.85; 1495.61]
Cp,gas	2064.04	J/mol×K	1147.85	Joback Calculated Property
Cp,gas	2098.61	J/mol×K	1205.81	Joback Calculated Property
Cp,gas	2130.00	J/mol×K	1263.77	Joback Calculated Property
Cp,gas	2158.72	J/mol×K	1321.73	Joback Calculated Property
Cp,gas	2185.25	J/mol×K	1379.69	Joback Calculated Property
Cp,gas	2210.10	J/mol×K	1437.65	Joback Calculated Property
Cp,gas	2233.76	J/mol×K	1495.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phytyl stearate.

Sources

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

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