Chemical Properties of Pentanoic acid, 2-methylbutyl ester (CAS 55590-83-5)

InChI

InChI=1S/C10H20O2/c1-4-6-7-10(11)12-8-9(3)5-2/h9H,4-8H2,1-3H3

InChI Key

FOJKZJAPKUOYKR-UHFFFAOYSA-N

Formula

C10H20O2

SMILES

CCCCC(=O)OCC(C)CC

Molecular Weight¹

172.26

CAS

55590-83-5

Other Names

• 2-Methylbutyl valerate
• 2-methylbutyl pentanoate

• 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).
• 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).
• P_vap : Vapor 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
ΔfG°	-203.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-499.81	kJ/mol	Joback Calculated Property
ΔfusH°	20.92	kJ/mol	Joback Calculated Property
ΔvapH°	46.62	kJ/mol	Joback Calculated Property
log10WS	-2.63		Crippen Calculated Property
logPoct/wat	2.766		Crippen Calculated Property
McVol	159.200	ml/mol	McGowan Calculated Property
Pc	2216.62	kPa	Joback Calculated Property
Inp	[1142.00; 1142.00]
Inp	1142.00		NIST
Inp	1142.00		NIST
I	1367.00		NIST
Tboil	504.05	K	Joback Calculated Property
Tc	679.81	K	Joback Calculated Property
Tfus	259.62	K	Joback Calculated Property
Vc	0.614	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[368.31; 447.14]	J/mol×K	[504.05; 679.81]
Cp,gas	368.31	J/mol×K	504.05	Joback Calculated Property
Cp,gas	382.82	J/mol×K	533.34	Joback Calculated Property
Cp,gas	396.77	J/mol×K	562.64	Joback Calculated Property
Cp,gas	410.17	J/mol×K	591.93	Joback Calculated Property
Cp,gas	423.03	J/mol×K	621.22	Joback Calculated Property
Cp,gas	435.35	J/mol×K	650.52	Joback Calculated Property
Cp,gas	447.14	J/mol×K	679.81	Joback Calculated Property
η	[0.0002109; 0.0046674]	Pa×s	[259.62; 504.05]
η	0.0046674	Pa×s	259.62	Joback Calculated Property
η	0.0019627	Pa×s	300.36	Joback Calculated Property
η	0.0010151	Pa×s	341.10	Joback Calculated Property
η	0.0006043	Pa×s	381.84	Joback Calculated Property
η	0.0003976	Pa×s	422.57	Joback Calculated Property
η	0.0002816	Pa×s	463.31	Joback Calculated Property
η	0.0002109	Pa×s	504.05	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[351.48; 506.65]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43949e+01
Coefficient B			-3.95773e+03
Coefficient C			-7.09340e+01
Temperature range, min.			351.48
Temperature range, max.			506.65
Pvap	1.33	kPa	351.48	Calculated Property
Pvap	3.02	kPa	368.72	Calculated Property
Pvap	6.24	kPa	385.96	Calculated Property
Pvap	11.98	kPa	403.20	Calculated Property
Pvap	21.57	kPa	420.44	Calculated Property
Pvap	36.73	kPa	437.69	Calculated Property
Pvap	59.62	kPa	454.93	Calculated Property
Pvap	92.85	kPa	472.17	Calculated Property
Pvap	139.40	kPa	489.41	Calculated Property
Pvap	202.67	kPa	506.65	Calculated Property

Similar Compounds

Find more compounds similar to Pentanoic acid, 2-methylbutyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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