Chemical Properties of Heptacosanoic acid, methyl ester (CAS 55682-91-2)

InChI

InChI=1S/C28H56O2/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)30-2/h3-27H2,1-2H3

InChI Key

SCVPLVIKFSVDDH-UHFFFAOYSA-N

Formula

C28H56O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC

Molecular Weight¹

424.74

CAS

55682-91-2

Other Names

• Methyl heptacosanoate

• 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	1.2438		Relay (1.0) Calculated Property
ΔfG°	-125.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-933.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	72.65	kJ/mol	Joback Calculated Property
ΔvapH°	152.20 ± 4.50	kJ/mol	NIST
IE	10.12	eV	Relay (1.0) Calculated Property
log10WS	-9.42		Relay (1.0) Calculated Property
logPoct/wat	9.932		Crippen Calculated Property
McVol	412.820	ml/mol	McGowan Calculated Property
Pc	657.13	kPa	Joback Calculated Property
Inp	[491.00; 3027.00]
Inp	3014.00		NIST
Inp	3015.64		NIST
Inp	3027.00		NIST
Inp	491.00		NIST
Inp	3014.00		NIST
Tboil	640.05	K	Relay (1.0) Calculated Property
Tc	833.34	K	Relay (1.0) Calculated Property
Tfus	331.06	K	Relay (1.0) Calculated Property
Vc	1.629	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1405.09; 1528.39]	J/mol×K	[898.46; 1105.92]
Cp,gas	1405.09	J/mol×K	898.46	Joback Calculated Property
Cp,gas	1429.38	J/mol×K	933.04	Joback Calculated Property
Cp,gas	1452.09	J/mol×K	967.61	Joback Calculated Property
Cp,gas	1473.28	J/mol×K	1002.19	Joback Calculated Property
Cp,gas	1493.02	J/mol×K	1036.77	Joback Calculated Property
Cp,gas	1511.36	J/mol×K	1071.34	Joback Calculated Property
Cp,gas	1528.39	J/mol×K	1105.92	Joback Calculated Property
η	[0.0000201; 0.0008453]	Pa×s	[447.65; 898.46]
η	0.0008453	Pa×s	447.65	Joback Calculated Property
η	0.0002896	Pa×s	522.78	Joback Calculated Property
η	0.0001299	Pa×s	597.92	Joback Calculated Property
η	0.0000696	Pa×s	673.06	Joback Calculated Property
η	0.0000423	Pa×s	748.19	Joback Calculated Property
η	0.0000282	Pa×s	823.33	Joback Calculated Property
η	0.0000201	Pa×s	898.46	Joback Calculated Property
ΔfusH	100.70	kJ/mol	336.20	NIST

Similar Compounds

Find more compounds similar to Heptacosanoic acid, methyl ester.

Sources

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

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