Chemical Properties of Pentanoic acid, pentyl ester (CAS 2173-56-0)

InChI

InChI=1S/C10H20O2/c1-3-5-7-9-12-10(11)8-6-4-2/h3-9H2,1-2H3

InChI Key

FGPPDYNPZTUNIU-UHFFFAOYSA-N

Formula

C10H20O2

SMILES

CCCCCOC(=O)CCCC

Molecular Weight¹

172.26

CAS

2173-56-0

Other Names

• 1-Pentyl n-valerate
• Amyl valerate
• Amyl valerianate
• NSC 76414
• Pentyl ester of pentanoic acid
• Pentyl pentanoate
• Pentyl valerate
• Valeric acid, pentyl ester
• n-Amyl n-valerate
• n-Pentyl valerate

• 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).
• 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
ω	0.6219		Relay (1.0) Calculated Property
ΔfG°	-277.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-571.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.03	kJ/mol	Joback Calculated Property
ΔvapH°	57.06	kJ/mol	Relay (1.0) Calculated Property
IE	9.63	eV	Relay (1.0) Calculated Property
log10WS	-3.07		Relay (1.0) Calculated Property
logPoct/wat	2.910		Crippen Calculated Property
McVol	159.200	ml/mol	McGowan Calculated Property
Pc	2117.78	kPa	Joback Calculated Property
Inp	[1150.00; 1188.00]
Inp	1155.00		NIST
Inp	1173.00		NIST
Inp	1170.00		NIST
Inp	1155.00		NIST
Inp	1175.00		NIST
Inp	1188.00		NIST
Inp	1150.00		NIST
Inp	1185.00		NIST
Inp	1185.00		NIST
Inp	1155.00		NIST
Inp	1185.00		NIST
Inp	1155.00		NIST
I	[1401.00; 1406.00]
I	1406.00		NIST
I	1401.00		NIST
I	1401.00		NIST
I	1401.00		NIST
I	1406.00		NIST
Tboil	[476.90; 479.00]	K
Tboil	479.00 ± 4.00	K	NIST
Tboil	476.90 ± 2.00	K	NIST
Tc	657.71	K	Relay (1.0) Calculated Property
Tfus	208.82	K	Relay (1.0) Calculated Property
Vc	0.622	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.96; 543.35]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.92070e+01
Coefficient B			8.99040e-01
Coefficient C			-4.25600e-04
Coefficient D			5.07000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	233.96	J/mol×K	273.00	Calculated Property
Cp,gas	286.24	J/mol×K	353.78	Calculated Property
Cp,gas	333.68	J/mol×K	434.56	Calculated Property
Cp,gas	376.42	J/mol×K	515.33	Calculated Property
Cp,gas	414.64	J/mol×K	596.11	Calculated Property
Cp,gas	448.48	J/mol×K	676.89	Calculated Property
Cp,gas	478.11	J/mol×K	757.67	Calculated Property
Cp,gas	503.69	J/mol×K	838.44	Calculated Property
Cp,gas	525.38	J/mol×K	919.22	Calculated Property
Cp,gas	543.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0058393; 0.0002549]	Pa×s	[244.79; 459.21]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.18499e+01
Coefficient B			1.64176e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			244.79
Temperature range, max.			459.21
η	0.0058393	Pa×s	244.79	Calculated Property
η	0.0032212	Pa×s	268.61	Calculated Property
η	0.0019578	Pa×s	292.44	Calculated Property
η	0.0012827	Pa×s	316.26	Calculated Property
η	0.0008916	Pa×s	340.09	Calculated Property
η	0.0006500	Pa×s	363.91	Calculated Property
η	0.0004926	Pa×s	387.74	Calculated Property
η	0.0003856	Pa×s	411.56	Calculated Property
η	0.0003099	Pa×s	435.38	Calculated Property
η	0.0002549	Pa×s	459.21	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[358.48; 508.45]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.48510e+01
Coefficient B			-4.14716e+03
Coefficient C			-7.37140e+01
Temperature range, min.			358.48
Temperature range, max.			508.45
Pvap	1.33	kPa	358.48	Calculated Property
Pvap	2.98	kPa	375.14	Calculated Property
Pvap	6.13	kPa	391.81	Calculated Property
Pvap	11.73	kPa	408.47	Calculated Property
Pvap	21.11	kPa	425.13	Calculated Property
Pvap	36.02	kPa	441.80	Calculated Property
Pvap	58.68	kPa	458.46	Calculated Property
Pvap	91.79	kPa	475.12	Calculated Property
Pvap	138.56	kPa	491.79	Calculated Property
Pvap	202.66	kPa	508.45	Calculated Property

Similar Compounds

Find more compounds similar to Pentanoic acid, pentyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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