Chemical Properties of 2-methyl-2-butenyl-d-3 hexanoate

InChI

InChI=1S/C11H20O2/c1-4-6-7-8-11(12)13-9-10(3)5-2/h5H,4,6-9H2,1-3H3/b10-5+/i2D3

InChI Key

IQVJSXINACDREY-SHDKUFAKSA-N

Formula

C11H17D3O2

SMILES

CC=C(C)COC(=O)CCCCC

Molecular Weight¹

187.29

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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
ΔfG°	-120.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-407.74	kJ/mol	Joback Calculated Property
ΔfusH°	25.92	kJ/mol	Joback Calculated Property
ΔvapH°	49.27	kJ/mol	Joback Calculated Property
log10WS	-3.14		Crippen Calculated Property
logPoct/wat	3.076		Crippen Calculated Property
McVol	168.990	ml/mol	McGowan Calculated Property
Pc	2121.68	kPa	Joback Calculated Property
I	[1578.00; 1578.00]
I	1578.00		NIST
I	1578.00		NIST
Tboil	531.41	K	Joback Calculated Property
Tc	712.45	K	Joback Calculated Property
Tfus	266.85	K	Joback Calculated Property
Vc	0.656	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[397.17; 476.80]	J/mol×K	[531.41; 712.45]
Cp,gas	397.17	J/mol×K	531.41	Joback Calculated Property
Cp,gas	412.00	J/mol×K	561.58	Joback Calculated Property
Cp,gas	426.18	J/mol×K	591.76	Joback Calculated Property
Cp,gas	439.73	J/mol×K	621.93	Joback Calculated Property
Cp,gas	452.68	J/mol×K	652.10	Joback Calculated Property
Cp,gas	465.03	J/mol×K	682.28	Joback Calculated Property
Cp,gas	476.80	J/mol×K	712.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-methyl-2-butenyl-d-3 hexanoate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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