Chemical Properties of Propanoic acid, pentyl ester (CAS 624-54-4)

InChI

InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3

InChI Key

TWSRVQVEYJNFKQ-UHFFFAOYSA-N

Formula

C8H16O2

SMILES

CCCCCOC(=O)CC

Molecular Weight¹

144.21

CAS

624-54-4

Other Names

• Amyl propanoate
• NSC 7931
• Pentyl propanate
• Pentyl propionate
• Propionic acid, pentyl ester
• amyl propionate
• ethyl butyrate
• n-Amyl n-propionate
• n-Amyl propionate
• n-Pentyl propanoate
• n-Pentyl propionate
• pentyl propanoate
• propionic acid, amyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• 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).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• 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	0.5371		Relay (1.0) Calculated Property
ΔfG°	-293.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-525.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.85	kJ/mol	Joback Calculated Property
ΔvapH°	48.25	kJ/mol	Relay (1.0) Calculated Property
IE	9.80	eV	Relay (1.0) Calculated Property
log10WS	[-1.28; -1.28]
log10WS	-1.28		Aq. Solubility Prediction
log10WS	-1.28		Estimated Solubility
logPoct/wat	2.130		Crippen Calculated Property
McVol	131.020	ml/mol	McGowan Calculated Property
Pc	2548.19	kPa	Joback Calculated Property
Inp	[949.00; 1006.00]
Inp	990.50		NIST
Inp	980.41		NIST
Inp	1001.50		NIST
Inp	987.00		NIST
Inp	983.00		NIST
Inp	995.00		NIST
Inp	990.00		NIST
Inp	989.00		NIST
Inp	952.00		NIST
Inp	960.00		NIST
Inp	980.00		NIST
Inp	988.00		NIST
Inp	990.00		NIST
Inp	998.00		NIST
Inp	949.00		NIST
Inp	950.00		NIST
Inp	980.00		NIST
Inp	972.00		NIST
Inp	952.00		NIST
Inp	968.00		NIST
Inp	1006.00		NIST
Inp	973.00		NIST
Inp	972.00		NIST
Inp	969.00		NIST
Inp	980.00		NIST
Inp	990.00		NIST
Inp	969.00		NIST
Inp	990.50		NIST
Inp	995.00		NIST
Inp	980.00		NIST
Inp	950.00		NIST
I	[1208.00; 1288.00]
I	1255.00		NIST
I	1234.00		NIST
I	1258.00		NIST
I	Outlier 1288.00		NIST
I	1210.00		NIST
I	1238.00		NIST
I	1236.00		NIST
I	1235.00		NIST
I	1257.00		NIST
I	1208.00		NIST
I	1239.00		NIST
I	1247.00		NIST
I	1208.00		NIST
I	1247.00		NIST
Tboil	[437.00; 441.90]	K
Tboil	441.90	K	KDB
Tboil	441.80	K	NIST
Tboil	441.90 ± 1.00	K	NIST
Tboil	437.00 ± 2.00	K	NIST
Tboil	441.80 ± 1.00	K	NIST
Tc	620.34	K	Relay (1.0) Calculated Property
Tfus	200.05	K	Aq. Solubility Prediction
Vc	0.510	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[274.34; 342.68]	J/mol×K	[440.86; 612.60]
Cp,gas	274.34	J/mol×K	440.86	Joback Calculated Property
Cp,gas	286.86	J/mol×K	469.48	Joback Calculated Property
Cp,gas	298.93	J/mol×K	498.11	Joback Calculated Property
Cp,gas	310.54	J/mol×K	526.73	Joback Calculated Property
Cp,gas	321.69	J/mol×K	555.36	Joback Calculated Property
Cp,gas	332.41	J/mol×K	583.98	Joback Calculated Property
Cp,gas	342.68	J/mol×K	612.60	Joback Calculated Property
Cp,liquid	245.20	J/mol×K	298.15	NIST
η	[0.0002405; 0.0061578]	Pa×s	[222.25; 440.86]
η	0.0061578	Pa×s	222.25	Joback Calculated Property
η	0.0024513	Pa×s	258.69	Joback Calculated Property
η	0.0012250	Pa×s	295.12	Joback Calculated Property
η	0.0007130	Pa×s	331.55	Joback Calculated Property
η	0.0004620	Pa×s	367.99	Joback Calculated Property
η	0.0003236	Pa×s	404.42	Joback Calculated Property
η	0.0002405	Pa×s	440.86	Joback Calculated Property
ΔvapH	44.10	kJ/mol	357.50	NIST
Pvap	[0.03; 1.29]	kPa	[274.10; 328.40]
Pvap	0.03	kPa	274.10	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	0.03	kPa	275.50	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	0.04	kPa	278.30	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	0.05	kPa	280.90	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	0.06	kPa	283.40	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	0.09	kPa	288.30	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	0.14	kPa	293.30	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	0.20	kPa	298.40	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	0.28	kPa	303.30	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	0.39	kPa	308.20	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	0.53	kPa	313.40	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	0.72	kPa	318.50	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	0.84	kPa	320.70	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	0.96	kPa	323.40	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	1.10	kPa	325.60	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	1.29	kPa	328.40	Vapour pressures and enthalpies of vaporization of aliphatic esters
ρl	848.98	kg/m3	318.15	Thermodynamic properties of (an ester + and alkane). XVII. Experimental He and Ve values for (an alkyl propanoate + an alkane) at 318.15K

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[331.42; 468.52]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.51106e+01
Coefficient B			-3.96398e+03
Coefficient C			-6.39980e+01
Temperature range, min.			331.42
Temperature range, max.			468.52
Pvap	1.33	kPa	331.42	Calculated Property
Pvap	2.96	kPa	346.65	Calculated Property
Pvap	6.07	kPa	361.89	Calculated Property
Pvap	11.60	kPa	377.12	Calculated Property
Pvap	20.87	kPa	392.35	Calculated Property
Pvap	35.64	kPa	407.59	Calculated Property
Pvap	58.17	kPa	422.82	Calculated Property
Pvap	91.22	kPa	438.05	Calculated Property
Pvap	138.09	kPa	453.29	Calculated Property
Pvap	202.63	kPa	468.52	Calculated Property
Pvap	[0.36; 2125.44]	kPa	[294.15; 604.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			2.11415e+01
Coefficient B			-5.46526e+03
Coefficient C			-6.04912e-01
Coefficient D			-1.53384e-06
Temperature range, min.			294.15
Temperature range, max.			604.15
Pvap	0.36	kPa	294.15	Calculated Property
Pvap	2.31	kPa	328.59	Calculated Property
Pvap	10.17	kPa	363.04	Calculated Property
Pvap	34.09	kPa	397.48	Calculated Property
Pvap	92.89	kPa	431.93	Calculated Property
Pvap	215.31	kPa	466.37	Calculated Property
Pvap	438.71	kPa	500.82	Calculated Property
Pvap	805.21	kPa	535.26	Calculated Property
Pvap	1356.05	kPa	569.71	Calculated Property
Pvap	2125.44	kPa	604.15	Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, pentyl ester.

Mixtures

• Propanoic acid, pentyl ester + Heptane
• Propanoic acid, pentyl ester + Nonane
• Undecane + Propanoic acid, pentyl ester
• Propanoic acid, pentyl ester + Tridecane
• Pentadecane + Propanoic acid, pentyl ester
• Heptadecane + Propanoic acid, pentyl ester

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Vapour pressures and enthalpies of vaporization of aliphatic esters
• Thermodynamic properties of (an ester + and alkane). XVII. Experimental He and Ve values for (an alkyl propanoate + an alkane) at 318.15K
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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