Chemical Properties of Triacontyl acetate (CAS 41755-58-2)

InChI

InChI=1S/C32H64O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-34-32(2)33/h3-31H2,1-2H3

InChI Key

OVQVOKLGCDAZBX-UHFFFAOYSA-N

Formula

C32H64O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(C)=O

Molecular Weight¹

480.85

CAS

41755-58-2

Other Names

• n-Triacontyl acetate
• 1-Triacontanol, acetate
• Melissyl acetate

• 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	1.3861		Relay (1.0) Calculated Property
ΔfG°	-15.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-1031.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	81.42	kJ/mol	Joback Calculated Property
ΔvapH°	161.77	kJ/mol	Relay (1.0) Calculated Property
IE	10.17	eV	Relay (1.0) Calculated Property
log10WS	-10.44		Relay (1.0) Calculated Property
logPoct/wat	11.492		Crippen Calculated Property
McVol	469.180	ml/mol	McGowan Calculated Property
Pc	555.20	kPa	Joback Calculated Property
Inp	[3398.06; 3412.20]
Inp	3412.20		NIST
Inp	3398.06		NIST
Tboil	670.24	K	Relay (1.0) Calculated Property
Tc	850.72	K	Relay (1.0) Calculated Property
Tfus	339.44	K	Relay (1.0) Calculated Property
Vc	1.852	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1683.18; 1821.94]	J/mol×K	[1007.85; 1268.18]
Cp,gas	1683.18	J/mol×K	1007.85	Joback Calculated Property
Cp,gas	1711.67	J/mol×K	1051.24	Joback Calculated Property
Cp,gas	1737.81	J/mol×K	1094.63	Joback Calculated Property
Cp,gas	1761.76	J/mol×K	1138.01	Joback Calculated Property
Cp,gas	1783.67	J/mol×K	1181.40	Joback Calculated Property
Cp,gas	1803.68	J/mol×K	1224.79	Joback Calculated Property
Cp,gas	1821.94	J/mol×K	1268.18	Joback Calculated Property
η	[0.0000123; 0.0003683]	Pa×s	[522.56; 1007.85]
η	0.0003683	Pa×s	522.56	Joback Calculated Property
η	0.0001429	Pa×s	603.44	Joback Calculated Property
η	0.0000693	Pa×s	684.32	Joback Calculated Property
η	0.0000392	Pa×s	765.20	Joback Calculated Property
η	0.0000247	Pa×s	846.09	Joback Calculated Property
η	0.0000169	Pa×s	926.97	Joback Calculated Property
η	0.0000123	Pa×s	1007.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Triacontyl acetate.

Sources

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

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