Chemical Properties of Pentanoic acid 1-methylpropyl ester (CAS 23361-74-2)

InChI

InChI=1S/C9H18O2/c1-4-6-7-9(10)11-8(3)5-2/h8H,4-7H2,1-3H3

InChI Key

WKIZFWVLAYCRDF-UHFFFAOYSA-N

Formula

C9H18O2

SMILES

CCCCC(=O)OC(C)CC

Molecular Weight¹

158.24

CAS

23361-74-2

Other Names

• sec-Butyl pentanoate
• Pentanoic acid, 2-butyl ester

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.5400		Relay (1.0) Calculated Property
ΔcH°liquid	-5489.80 ± 1.70	kJ/mol	NIST
ΔfG°	-287.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-573.00 ± 2.00	kJ/mol	NIST
ΔfH°liquid	-624.00 ± 2.00	kJ/mol	NIST
ΔfusH°	19.91	kJ/mol	Joback Calculated Property
ΔvapH°	[51.00; 51.00]	kJ/mol
ΔvapH°	51.00 ± 1.00	kJ/mol	NIST
ΔvapH°	51.00	kJ/mol	NIST
IE	9.80	eV	Relay (1.0) Calculated Property
log10WS	-2.32		Relay (1.0) Calculated Property
logPoct/wat	2.518		Crippen Calculated Property
McVol	145.110	ml/mol	McGowan Calculated Property
Pc	2336.03	kPa	Joback Calculated Property
Inp	1019.00		NIST
I	1224.00		NIST
Tboil	427.08	K	Relay (1.0) Calculated Property
Tc	618.85	K	Relay (1.0) Calculated Property
Tfus	192.93	K	Relay (1.0) Calculated Property
Vc	0.557	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[317.13; 392.55]	J/mol×K	[463.30; 637.50]
Cp,gas	317.13	J/mol×K	463.30	Joback Calculated Property
Cp,gas	331.02	J/mol×K	492.33	Joback Calculated Property
Cp,gas	344.38	J/mol×K	521.37	Joback Calculated Property
Cp,gas	357.20	J/mol×K	550.40	Joback Calculated Property
Cp,gas	369.50	J/mol×K	579.43	Joback Calculated Property
Cp,gas	381.28	J/mol×K	608.47	Joback Calculated Property
Cp,gas	392.55	J/mol×K	637.50	Joback Calculated Property
η	[0.0002144; 0.0099060]	Pa×s	[218.52; 463.30]
η	0.0099060	Pa×s	218.52	Joback Calculated Property
η	0.0031636	Pa×s	259.32	Joback Calculated Property
η	0.0013780	Pa×s	300.11	Joback Calculated Property
η	0.0007323	Pa×s	340.91	Joback Calculated Property
η	0.0004455	Pa×s	381.71	Joback Calculated Property
η	0.0002983	Pa×s	422.50	Joback Calculated Property
η	0.0002144	Pa×s	463.30	Joback Calculated Property
ΔvapH	41.00	kJ/mol	293.00	NIST

Similar Compounds

Find more compounds similar to Pentanoic acid 1-methylpropyl ester.

Sources

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

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