Chemical Properties of Docosyl, isovalerate (CAS 202659-53-8)

InChI

InChI=1S/C27H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-27(28)25-26(2)3/h26H,4-25H2,1-3H3

InChI Key

OFRPMAQLXIEORX-UHFFFAOYSA-N

Formula

C27H54O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(C)C

Molecular Weight¹

410.72

CAS

202659-53-8

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	1.1875		Relay (1.0) Calculated Property
ΔfG°	-59.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-923.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.95	kJ/mol	Joback Calculated Property
ΔvapH°	123.08	kJ/mol	Relay (1.0) Calculated Property
IE	9.94	eV	Relay (1.0) Calculated Property
log10WS	-8.94		Relay (1.0) Calculated Property
logPoct/wat	9.398		Crippen Calculated Property
McVol	398.730	ml/mol	McGowan Calculated Property
Pc	708.84	kPa	Joback Calculated Property
Inp	[2841.40; 2841.40]
Inp	2841.40		NIST
Inp	2841.40		NIST
Tboil	620.07	K	Relay (1.0) Calculated Property
Tc	819.56	K	Relay (1.0) Calculated Property
Tfus	306.68	K	Relay (1.0) Calculated Property
Vc	1.558	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1350.92; 1471.36]	J/mol×K	[893.01; 1096.23]
Cp,gas	1350.92	J/mol×K	893.01	Joback Calculated Property
Cp,gas	1374.45	J/mol×K	926.88	Joback Calculated Property
Cp,gas	1396.52	J/mol×K	960.75	Joback Calculated Property
Cp,gas	1417.19	J/mol×K	994.62	Joback Calculated Property
Cp,gas	1436.51	J/mol×K	1028.49	Joback Calculated Property
Cp,gas	1454.55	J/mol×K	1062.36	Joback Calculated Property
Cp,gas	1471.36	J/mol×K	1096.23	Joback Calculated Property
η	[0.0000245; 0.0008713]	Pa×s	[451.21; 893.01]
η	0.0008713	Pa×s	451.21	Joback Calculated Property
η	0.0003163	Pa×s	524.84	Joback Calculated Property
η	0.0001473	Pa×s	598.48	Joback Calculated Property
η	0.0000811	Pa×s	672.11	Joback Calculated Property
η	0.0000503	Pa×s	745.74	Joback Calculated Property
η	0.0000339	Pa×s	819.38	Joback Calculated Property
η	0.0000245	Pa×s	893.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Docosyl, isovalerate.

Sources

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

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