Chemical Properties of 2-methylpropyl 2-methylbutanoate-d-3

InChI

InChI=1S/C9H18O2/c1-5-8(4)9(10)11-6-7(2)3/h7-8H,5-6H2,1-4H3/i1D3

InChI Key

NWZQCEQAPBRMFX-FIBGUPNXSA-N

Formula

C9H18O2

SMILES

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

Molecular Weight¹

161.26

• 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	0.5302		Relay (1.0) Calculated Property
ΔfH°gas	-779.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.39	kJ/mol	Joback Calculated Property
ΔvapH°	49.22	kJ/mol	Relay (1.0) Calculated Property
IE	10.18	eV	Relay (1.0) Calculated Property
log10WS	-2.91		Relay (1.0) Calculated Property
logPoct/wat	2.232		Crippen Calculated Property
McVol	145.110	ml/mol	McGowan Calculated Property
Pc	2354.20	kPa	Joback Calculated Property
I	[1181.00; 1181.00]
I	1181.00		NIST
I	1181.00		NIST
Tboil	423.66	K	Relay (1.0) Calculated Property
Tc	762.31	K	Relay (1.0) Calculated Property
Tfus	243.57	K	Relay (1.0) Calculated Property
Vc	0.608	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	[317.24; 394.46]	J/mol×K	[462.86; 640.80]
Cp,gas	317.24	J/mol×K	462.86	Joback Calculated Property
Cp,gas	331.51	J/mol×K	492.52	Joback Calculated Property
Cp,gas	345.21	J/mol×K	522.17	Joback Calculated Property
Cp,gas	358.35	J/mol×K	551.83	Joback Calculated Property
Cp,gas	370.93	J/mol×K	581.49	Joback Calculated Property
Cp,gas	382.97	J/mol×K	611.15	Joback Calculated Property
Cp,gas	394.46	J/mol×K	640.80	Joback Calculated Property
η	[0.0002080; 0.0181486]	Pa×s	[203.52; 462.86]
η	0.0181486	Pa×s	203.52	Joback Calculated Property
η	0.0044881	Pa×s	246.74	Joback Calculated Property
η	0.0016834	Pa×s	289.97	Joback Calculated Property
η	0.0008143	Pa×s	333.19	Joback Calculated Property
η	0.0004654	Pa×s	376.41	Joback Calculated Property
η	0.0002985	Pa×s	419.64	Joback Calculated Property
η	0.0002080	Pa×s	462.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-methylpropyl 2-methylbutanoate-d-3.

Sources

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

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