Chemical Properties of 3-methylbutyl tetradecanoate (CAS 62488-24-8)

InChI

InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-19(20)21-17-16-18(2)3/h18H,4-17H2,1-3H3

InChI Key

AISCBZKHUSXEOC-UHFFFAOYSA-N

Formula

C19H38O2

SMILES

CCCCCCCCCCCCCC(=O)OCCC(C)C

Molecular Weight¹

298.50

CAS

62488-24-8

Other Names

• isopentyl myristate
• Isopentyl tetradecanoate

• 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.
• I : 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	0.9030		Relay (1.0) Calculated Property
ΔfG°	-203.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-759.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.81	kJ/mol	Joback Calculated Property
ΔvapH°	91.67	kJ/mol	Relay (1.0) Calculated Property
IE	9.66	eV	Relay (1.0) Calculated Property
log10WS	-6.44		Relay (1.0) Calculated Property
logPoct/wat	6.277		Crippen Calculated Property
McVol	286.010	ml/mol	McGowan Calculated Property
Pc	1089.94	kPa	Joback Calculated Property
Inp	[2050.80; 2050.80]
Inp	2050.80		NIST
Inp	2050.80		NIST
I	[2271.00; 2279.00]
I	2279.00		NIST
I	2271.00		NIST
I	2271.00		NIST
I	2279.00		NIST
Tboil	585.62	K	Relay (1.0) Calculated Property
Tc	763.91	K	Relay (1.0) Calculated Property
Tfus	265.55	K	Relay (1.0) Calculated Property
Vc	1.111	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[424.57; 1008.20]	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			9.34400e+00
Coefficient B			1.75996e+00
Coefficient C			-9.18400e-04
Coefficient D			1.57300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	424.57	J/mol×K	273.00	Calculated Property
Cp,gas	524.00	J/mol×K	353.78	Calculated Property
Cp,gas	613.62	J/mol×K	434.56	Calculated Property
Cp,gas	693.94	J/mol×K	515.33	Calculated Property
Cp,gas	765.44	J/mol×K	596.11	Calculated Property
Cp,gas	828.63	J/mol×K	676.89	Calculated Property
Cp,gas	884.01	J/mol×K	757.67	Calculated Property
Cp,gas	932.06	J/mol×K	838.44	Calculated Property
Cp,gas	973.30	J/mol×K	919.22	Calculated Property
Cp,gas	1008.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037136; 0.0001199]	Pa×s	[331.22; 602.23]	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			-1.32252e+01
Coefficient B			2.52702e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			331.22
Temperature range, max.			602.23
η	0.0037136	Pa×s	331.22	Calculated Property
η	0.0019664	Pa×s	361.33	Calculated Property
η	0.0011482	Pa×s	391.44	Calculated Property
η	0.0007240	Pa×s	421.56	Calculated Property
η	0.0004855	Pa×s	451.67	Calculated Property
η	0.0003422	Pa×s	481.78	Calculated Property
η	0.0002514	Pa×s	511.89	Calculated Property
η	0.0001911	Pa×s	542.00	Calculated Property
η	0.0001495	Pa×s	572.12	Calculated Property
η	0.0001199	Pa×s	602.23	Calculated Property

Similar Compounds

Find more compounds similar to 3-methylbutyl tetradecanoate.

Sources

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

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