Chemical Properties of Propanoic acid, 2-octyl ester, (R or S)

InChI

InChI=1S/C11H22O2/c1-4-6-7-8-9-10(3)13-11(12)5-2/h10H,4-9H2,1-3H3

InChI Key

AJJGEXYNDGEAQF-UHFFFAOYSA-N

Formula

C11H22O2

SMILES

CCCCCCC(C)OC(=O)CC

Molecular Weight¹

186.30

Other Names

• Propanoic acid, 1-methylheptyl ester

• 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	0.6089		Relay (1.0) Calculated Property
ΔfG°	-271.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-605.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.09	kJ/mol	Joback Calculated Property
ΔvapH°	60.57	kJ/mol	Relay (1.0) Calculated Property
IE	9.74	eV	Relay (1.0) Calculated Property
log10WS	-3.28		Relay (1.0) Calculated Property
logPoct/wat	3.298		Crippen Calculated Property
McVol	173.290	ml/mol	McGowan Calculated Property
Pc	1956.14	kPa	Joback Calculated Property
Inp	[1231.00; 1231.00]
Inp	1231.00		NIST
Inp	1231.00		NIST
I	[1430.00; 1430.00]
I	1430.00		NIST
I	1430.00		NIST
Tboil	467.05	K	Relay (1.0) Calculated Property
Tc	656.32	K	Relay (1.0) Calculated Property
Tfus	213.77	K	Relay (1.0) Calculated Property
Vc	0.667	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[408.63; 492.92]	J/mol×K	[509.06; 680.56]
Cp,gas	408.63	J/mol×K	509.06	Joback Calculated Property
Cp,gas	424.21	J/mol×K	537.64	Joback Calculated Property
Cp,gas	439.17	J/mol×K	566.23	Joback Calculated Property
Cp,gas	453.51	J/mol×K	594.81	Joback Calculated Property
Cp,gas	467.25	J/mol×K	623.39	Joback Calculated Property
Cp,gas	480.38	J/mol×K	651.97	Joback Calculated Property
Cp,gas	492.92	J/mol×K	680.56	Joback Calculated Property
η	[0.0001804; 0.0086813]	Pa×s	[241.06; 509.06]
η	0.0086813	Pa×s	241.06	Joback Calculated Property
η	0.0027481	Pa×s	285.73	Joback Calculated Property
η	0.0011873	Pa×s	330.39	Joback Calculated Property
η	0.0006264	Pa×s	375.06	Joback Calculated Property
η	0.0003787	Pa×s	419.73	Joback Calculated Property
η	0.0002522	Pa×s	464.39	Joback Calculated Property
η	0.0001804	Pa×s	509.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 2-octyl ester, (R or S).

Sources

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

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