Chemical Properties of butyl-d3 butanoate-d3

InChI

InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3/i1D3,2D3

InChI Key

XUPYJHCZDLZNFP-WFGJKAKNSA-N

Formula

C8H16O2

SMILES

[2H]C([2H])([2H])CCCOC(=O)CCC([2H])([2H])[2H]

Molecular Weight¹

150.25

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.6511		Relay (1.0) Calculated Property
ΔfH°gas	-981.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.85	kJ/mol	Joback Calculated Property
ΔvapH°	55.32	kJ/mol	Relay (1.0) Calculated Property
IE	10.27	eV	Relay (1.0) Calculated Property
log10WS	-3.32		Relay (1.0) Calculated Property
logPoct/wat	2.130		Crippen Calculated Property
McVol	131.020	ml/mol	McGowan Calculated Property
Pc	2548.19	kPa	Joback Calculated Property
I	[1212.00; 1212.00]
I	1212.00		NIST
I	1212.00		NIST
Tboil	439.07	K	Relay (1.0) Calculated Property
Tc	924.12	K	Relay (1.0) Calculated Property
Tfus	285.39	K	Relay (1.0) Calculated Property
Vc	0.653	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

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
η	[0.0002505; 0.0064155]	Pa×s	[222.25; 440.86]
η	0.0064155	Pa×s	222.25	Joback Calculated Property
η	0.0025539	Pa×s	258.69	Joback Calculated Property
η	0.0012763	Pa×s	295.12	Joback Calculated Property
η	0.0007429	Pa×s	331.55	Joback Calculated Property
η	0.0004813	Pa×s	367.99	Joback Calculated Property
η	0.0003372	Pa×s	404.42	Joback Calculated Property
η	0.0002505	Pa×s	440.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to butyl-d3 butanoate-d3.

Sources

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

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