Chemical Properties of butyl heptacosanoate

InChI

InChI=1S/C31H62O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31(32)33-30-6-4-2/h3-30H2,1-2H3

InChI Key

YADQNLPORRZASF-UHFFFAOYSA-N

Formula

C31H62O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCC

Molecular Weight¹

466.82

• 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	1.3602		Relay (1.0) Calculated Property
ΔfH°gas	-1001.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	78.83	kJ/mol	Joback Calculated Property
ΔvapH°	146.08	kJ/mol	Relay (1.0) Calculated Property
IE	10.04	eV	Relay (1.0) Calculated Property
log10WS	-10.01		Relay (1.0) Calculated Property
logPoct/wat	11.102		Crippen Calculated Property
McVol	455.090	ml/mol	McGowan Calculated Property
Pc	581.20	kPa	Joback Calculated Property
Inp	[3273.93; 3273.93]
Inp	3273.93		NIST
Inp	3273.93		NIST
Tboil	662.79	K	Relay (1.0) Calculated Property
Tc	846.86	K	Relay (1.0) Calculated Property
Tfus	321.80	K	Relay (1.0) Calculated Property
Vc	1.792	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	[1615.90; 1750.69]	J/mol×K	[984.97; 1231.24]
Cp,gas	1615.90	J/mol×K	984.97	Joback Calculated Property
Cp,gas	1643.25	J/mol×K	1026.01	Joback Calculated Property
Cp,gas	1668.49	J/mol×K	1067.06	Joback Calculated Property
Cp,gas	1691.73	J/mol×K	1108.10	Joback Calculated Property
Cp,gas	1713.09	J/mol×K	1149.15	Joback Calculated Property
Cp,gas	1732.71	J/mol×K	1190.19	Joback Calculated Property
Cp,gas	1750.69	J/mol×K	1231.24	Joback Calculated Property
η	[0.0000144; 0.0004241]	Pa×s	[511.29; 984.97]
η	0.0004241	Pa×s	511.29	Joback Calculated Property
η	0.0001655	Pa×s	590.24	Joback Calculated Property
η	0.0000806	Pa×s	669.18	Joback Calculated Property
η	0.0000457	Pa×s	748.13	Joback Calculated Property
η	0.0000289	Pa×s	827.08	Joback Calculated Property
η	0.0000198	Pa×s	906.02	Joback Calculated Property
η	0.0000144	Pa×s	984.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to butyl heptacosanoate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.