Chemical Properties of ethyl butanoate-d3

InChI

InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3/i1D3,3D2,5D2

InChI Key

OBNCKNCVKJNDBV-HJHJEWFGSA-N

Formula

C6H5D7O2

SMILES

CCCC(=O)OCC

Molecular Weight¹

123.20

• 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 : 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	0.4359		Relay (1.0) Calculated Property
ΔfG°	-310.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-492.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.67	kJ/mol	Joback Calculated Property
ΔvapH°	42.92	kJ/mol	Relay (1.0) Calculated Property
IE	9.82	eV	Relay (1.0) Calculated Property
log10WS	-1.23		Relay (1.0) Calculated Property
logPoct/wat	1.350		Crippen Calculated Property
McVol	102.840	ml/mol	McGowan Calculated Property
Pc	3124.49	kPa	Joback Calculated Property
I	[1036.00; 1036.00]
I	1036.00		NIST
I	1036.00		NIST
Tboil	386.26	K	Relay (1.0) Calculated Property
Tc	573.21	K	Relay (1.0) Calculated Property
Tfus	188.62	K	Relay (1.0) Calculated Property
Vc	0.402	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[149.10; 336.98]	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			2.28430e+01
Coefficient B			5.19040e-01
Coefficient C			-2.08000e-04
Coefficient D			3.10000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	149.10	J/mol×K	273.00	Calculated Property
Cp,gas	180.57	J/mol×K	353.78	Calculated Property
Cp,gas	209.37	J/mol×K	434.56	Calculated Property
Cp,gas	235.51	J/mol×K	515.33	Calculated Property
Cp,gas	258.99	J/mol×K	596.11	Calculated Property
Cp,gas	279.84	J/mol×K	676.89	Calculated Property
Cp,gas	298.05	J/mol×K	757.67	Calculated Property
Cp,gas	313.63	J/mol×K	838.44	Calculated Property
Cp,gas	326.61	J/mol×K	919.22	Calculated Property
Cp,gas	336.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0060165; 0.0002560]	Pa×s	[199.71; 398.14]	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			-1.14480e+01
Coefficient B			1.26512e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			199.71
Temperature range, max.			398.14
η	0.0060165	Pa×s	199.71	Calculated Property
η	0.0032049	Pa×s	221.76	Calculated Property
η	0.0019132	Pa×s	243.81	Calculated Property
η	0.0012441	Pa×s	265.85	Calculated Property
η	0.0008642	Pa×s	287.90	Calculated Property
η	0.0006322	Pa×s	309.95	Calculated Property
η	0.0004821	Pa×s	332.00	Calculated Property
η	0.0003802	Pa×s	354.04	Calculated Property
η	0.0003084	Pa×s	376.09	Calculated Property
η	0.0002560	Pa×s	398.14	Calculated Property

Similar Compounds

Find more compounds similar to ethyl butanoate-d3.

Sources

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

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