Chemical Properties of Propanoic acid, decyl ester (CAS 5454-19-3)

InChI

InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h3-12H2,1-2H3

InChI Key

HUOYUOXEIKDMFT-UHFFFAOYSA-N

Formula

C13H26O2

SMILES

CCCCCCCCCCOC(=O)CC

Molecular Weight¹

214.34

CAS

5454-19-3

Other Names

• n-Decyl propanoate
• Decyl propionate
• Propionic acid, decyl ester
• n-Decyl n-propionate

• 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	0.7247		Relay (1.0) Calculated Property
ΔfG°	-251.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-628.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.79	kJ/mol	Joback Calculated Property
ΔvapH°	70.73	kJ/mol	Relay (1.0) Calculated Property
IE	9.59	eV	Relay (1.0) Calculated Property
log10WS	-4.41		Relay (1.0) Calculated Property
logPoct/wat	4.080		Crippen Calculated Property
McVol	201.470	ml/mol	McGowan Calculated Property
Pc	1651.11	kPa	Joback Calculated Property
Inp	[1459.00; 1501.10]
Inp	1480.05		NIST
Inp	Outlier 1501.10		NIST
Inp	1476.00		NIST
Inp	1478.00		NIST
Inp	1478.00		NIST
Inp	1474.00		NIST
Inp	1473.00		NIST
Inp	1462.00		NIST
Inp	Outlier 1459.00		NIST
Inp	1483.00		NIST
Inp	1476.00		NIST
Inp	1486.00		NIST
Inp	1486.00		NIST
Inp	1486.00		NIST
Inp	1480.05		NIST
Inp	1474.00		NIST
Inp	1476.00		NIST
I	[1716.00; 1783.00]
I	1732.00		NIST
I	1716.00		NIST
I	1755.00		NIST
I	1757.00		NIST
I	1753.00		NIST
I	1764.00		NIST
I	1783.00		NIST
I	1748.00		NIST
I	1729.00		NIST
I	1729.00		NIST
I	1732.00		NIST
I	1764.00		NIST
Tboil	521.94	K	Relay (1.0) Calculated Property
Tc	704.28	K	Relay (1.0) Calculated Property
Tfus	253.54	K	Relay (1.0) Calculated Property
Vc	0.791	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[507.19; 596.69]	J/mol×K	[555.26; 721.46]
Cp,gas	507.19	J/mol×K	555.26	Joback Calculated Property
Cp,gas	523.75	J/mol×K	582.96	Joback Calculated Property
Cp,gas	539.63	J/mol×K	610.66	Joback Calculated Property
Cp,gas	554.86	J/mol×K	638.36	Joback Calculated Property
Cp,gas	569.44	J/mol×K	666.06	Joback Calculated Property
Cp,gas	583.38	J/mol×K	693.76	Joback Calculated Property
Cp,gas	596.69	J/mol×K	721.46	Joback Calculated Property
η	[0.0001564; 0.0048851]	Pa×s	[278.60; 555.26]
η	0.0048851	Pa×s	278.60	Joback Calculated Property
η	0.0018320	Pa×s	324.71	Joback Calculated Property
η	0.0008768	Pa×s	370.82	Joback Calculated Property
η	0.0004939	Pa×s	416.93	Joback Calculated Property
η	0.0003119	Pa×s	463.04	Joback Calculated Property
η	0.0002141	Pa×s	509.15	Joback Calculated Property
η	0.0001564	Pa×s	555.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, decyl ester.

Sources

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

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