Chemical Properties of butyl hentriacontanoate

InChI

InChI=1S/C35H70O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35(36)37-34-6-4-2/h3-34H2,1-2H3

InChI Key

NAOTWONFLVSLAZ-UHFFFAOYSA-N

Formula

C35H70O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCC

Molecular Weight¹

522.93

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	1.5004		Relay (1.0) Calculated Property
ΔfH°gas	-1083.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	89.19	kJ/mol	Joback Calculated Property
ΔvapH°	164.56	kJ/mol	Relay (1.0) Calculated Property
IE	10.19	eV	Relay (1.0) Calculated Property
log10WS	-11.11		Relay (1.0) Calculated Property
logPoct/wat	12.662		Crippen Calculated Property
McVol	511.450	ml/mol	McGowan Calculated Property
Pc	486.88	kPa	Joback Calculated Property
Inp	[3676.65; 3676.65]
Inp	3676.65		NIST
Inp	3676.65		NIST
Tboil	687.61	K	Relay (1.0) Calculated Property
Tc	869.27	K	Relay (1.0) Calculated Property
Tfus	328.43	K	Relay (1.0) Calculated Property
Vc	2.011	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1886.65; 2039.01]	J/mol×K	[1076.49; 1389.63]
Cp,gas	1886.65	J/mol×K	1076.49	Joback Calculated Property
Cp,gas	1919.16	J/mol×K	1128.68	Joback Calculated Property
Cp,gas	1948.44	J/mol×K	1180.87	Joback Calculated Property
Cp,gas	1974.78	J/mol×K	1233.06	Joback Calculated Property
Cp,gas	1998.46	J/mol×K	1285.25	Joback Calculated Property
Cp,gas	2019.77	J/mol×K	1337.44	Joback Calculated Property
Cp,gas	2039.01	J/mol×K	1389.63	Joback Calculated Property
η	[0.0000076; 0.0002385]	Pa×s	[556.37; 1076.49]
η	0.0002385	Pa×s	556.37	Joback Calculated Property
η	0.0000910	Pa×s	643.06	Joback Calculated Property
η	0.0000437	Pa×s	729.74	Joback Calculated Property
η	0.0000245	Pa×s	816.43	Joback Calculated Property
η	0.0000154	Pa×s	903.12	Joback Calculated Property
η	0.0000104	Pa×s	989.80	Joback Calculated Property
η	0.0000076	Pa×s	1076.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to butyl hentriacontanoate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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