Chemical Properties of Butyl nonadecanoate

InChI

InChI=1S/C23H46O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(24)25-22-6-4-2/h3-22H2,1-2H3

InChI Key

ITNVNJXRNZATAY-UHFFFAOYSA-N

Formula

C23H46O2

SMILES

CCCCCCCCCCCCCCCCCCC(=O)OCCCC

Molecular Weight¹

354.61

• 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	1.0799		Relay (1.0) Calculated Property
ΔfH°gas	-835.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.69	kJ/mol	Joback Calculated Property
ΔvapH°	113.27	kJ/mol	Relay (1.0) Calculated Property
IE	9.78	eV	Relay (1.0) Calculated Property
log10WS	-7.76		Relay (1.0) Calculated Property
logPoct/wat	7.981		Crippen Calculated Property
McVol	342.370	ml/mol	McGowan Calculated Property
Pc	854.46	kPa	Joback Calculated Property
Inp	[2469.00; 2469.00]
Inp	2469.00		NIST
Inp	2469.00		NIST
Tboil	612.53	K	Relay (1.0) Calculated Property
Tc	798.83	K	Relay (1.0) Calculated Property
Tfus	297.75	K	Relay (1.0) Calculated Property
Vc	1.352	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	[1083.22; 1194.25]	J/mol×K	[784.06; 960.84]
Cp,gas	1083.22	J/mol×K	784.06	Joback Calculated Property
Cp,gas	1104.36	J/mol×K	813.52	Joback Calculated Property
Cp,gas	1124.41	J/mol×K	842.99	Joback Calculated Property
Cp,gas	1143.38	J/mol×K	872.45	Joback Calculated Property
Cp,gas	1161.33	J/mol×K	901.92	Joback Calculated Property
Cp,gas	1178.28	J/mol×K	931.38	Joback Calculated Property
Cp,gas	1194.25	J/mol×K	960.84	Joback Calculated Property
η	[0.0000428; 0.0016765]	Pa×s	[391.30; 784.06]
η	0.0016765	Pa×s	391.30	Joback Calculated Property
η	0.0005869	Pa×s	456.76	Joback Calculated Property
η	0.0002673	Pa×s	522.22	Joback Calculated Property
η	0.0001451	Pa×s	587.68	Joback Calculated Property
η	0.0000890	Pa×s	653.14	Joback Calculated Property
η	0.0000597	Pa×s	718.60	Joback Calculated Property
η	0.0000428	Pa×s	784.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butyl nonadecanoate.

Sources

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

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