Chemical Properties of ethyl pentanoate-d2

InChI

InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3/i1D3,3D2,5D2,6D2

InChI Key

ICMAFTSLXCXHRK-IQXHHDLKSA-N

Formula

C7H14O2

SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OCC

Molecular Weight¹

139.24

• 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_p : 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	0.3867		Relay (1.0) Calculated Property
ΔfG°	-302.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-1087.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.25	kJ/mol	Joback Calculated Property
ΔvapH°	46.41	kJ/mol	Relay (1.0) Calculated Property
IE	10.23	eV	Relay (1.0) Calculated Property
log10WS	-4.20		Relay (1.0) Calculated Property
logPoct/wat	1.740		Crippen Calculated Property
McVol	116.930	ml/mol	McGowan Calculated Property
Pc	2814.34	kPa	Joback Calculated Property
Ip	[1137.00; 1137.00]
Ip	1137.00		NIST
Ip	1137.00		NIST
Tboil	334.70	K	Relay (1.0) Calculated Property
Tc	911.84	K	Relay (1.0) Calculated Property
Tfus	256.16	K	Relay (1.0) Calculated Property
Vc	0.690	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[170.32; 388.57]	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			2.19340e+01
Coefficient B			6.14040e-01
Coefficient C			-2.62400e-04
Coefficient D			1.50000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	170.32	J/mol×K	273.00	Calculated Property
Cp,gas	206.99	J/mol×K	353.78	Calculated Property
Cp,gas	240.45	J/mol×K	434.56	Calculated Property
Cp,gas	270.74	J/mol×K	515.33	Calculated Property
Cp,gas	297.90	J/mol×K	596.11	Calculated Property
Cp,gas	322.00	J/mol×K	676.89	Calculated Property
Cp,gas	343.06	J/mol×K	757.67	Calculated Property
Cp,gas	361.15	J/mol×K	838.44	Calculated Property
Cp,gas	376.30	J/mol×K	919.22	Calculated Property
Cp,gas	388.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0065841; 0.0002805]	Pa×s	[210.98; 413.54]	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			-1.14658e+01
Coefficient B			1.35928e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			210.98
Temperature range, max.			413.54
η	0.0065841	Pa×s	210.98	Calculated Property
η	0.0035382	Pa×s	233.49	Calculated Property
η	0.0021208	Pa×s	255.99	Calculated Property
η	0.0013808	Pa×s	278.50	Calculated Property
η	0.0009586	Pa×s	301.01	Calculated Property
η	0.0007002	Pa×s	323.52	Calculated Property
η	0.0005327	Pa×s	346.02	Calculated Property
η	0.0004191	Pa×s	368.53	Calculated Property
η	0.0003389	Pa×s	391.04	Calculated Property
η	0.0002805	Pa×s	413.54	Calculated Property

Similar Compounds

Find more compounds similar to ethyl pentanoate-d2.

Sources

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

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