Chemical Properties of ethyl triacontanoate (CAS 7505-12-6)

InChI

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

InChI Key

IPUBNDNLVZUJAA-UHFFFAOYSA-N

Formula

C32H64O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC

Molecular Weight¹

480.85

CAS

7505-12-6

Other Names

• Ethyl triacontanate

• 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_fusH : Enthalpy of fusion at a given temperature (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	1.3827		Relay (1.0) Calculated Property
ΔfG°	-91.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-1028.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	83.01	kJ/mol	Joback Calculated Property
ΔvapH°	158.46	kJ/mol	Relay (1.0) Calculated Property
IE	10.15	eV	Relay (1.0) Calculated Property
log10WS	-10.43		Relay (1.0) Calculated Property
logPoct/wat	11.492		Crippen Calculated Property
McVol	469.180	ml/mol	McGowan Calculated Property
Pc	544.63	kPa	Joback Calculated Property
Inp	[3381.50; 3381.50]
Inp	3381.50		NIST
Inp	3381.50		NIST
Tboil	667.77	K	Relay (1.0) Calculated Property
Tc	854.70	K	Relay (1.0) Calculated Property
Tfus	333.55	K	Relay (1.0) Calculated Property
Vc	1.851	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[700.66; 1678.35]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-7.91000e-01
Coefficient B			2.98904e+00
Coefficient C			-1.62240e-03
Coefficient D			3.12500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	700.66	J/mol×K	273.00	Calculated Property
Cp,gas	867.44	J/mol×K	353.78	Calculated Property
Cp,gas	1017.39	J/mol×K	434.56	Calculated Property
Cp,gas	1151.47	J/mol×K	515.33	Calculated Property
Cp,gas	1270.69	J/mol×K	596.11	Calculated Property
Cp,gas	1376.03	J/mol×K	676.89	Calculated Property
Cp,gas	1468.47	J/mol×K	757.67	Calculated Property
Cp,gas	1549.02	J/mol×K	838.44	Calculated Property
Cp,gas	1618.65	J/mol×K	919.22	Calculated Property
Cp,gas	1678.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004688; 0.0000179]	Pa×s	[492.73; 869.85]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.52014e+01
Coefficient B			3.71328e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			492.73
Temperature range, max.			869.85
η	0.0004688	Pa×s	492.73	Calculated Property
η	0.0002597	Pa×s	534.63	Calculated Property
η	0.0001568	Pa×s	576.54	Calculated Property
η	0.0001013	Pa×s	618.44	Calculated Property
η	0.0000692	Pa×s	660.34	Calculated Property
η	0.0000495	Pa×s	702.24	Calculated Property
η	0.0000367	Pa×s	744.15	Calculated Property
η	0.0000282	Pa×s	786.05	Calculated Property
η	0.0000222	Pa×s	827.95	Calculated Property
η	0.0000179	Pa×s	869.85	Calculated Property

Similar Compounds

Find more compounds similar to ethyl triacontanoate.

Sources

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

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