Chemical Properties of 3-methylbut-2-en-1-yl 3-methylbutanoate

InChI

InChI=1S/C10H18O2/c1-8(2)5-6-12-10(11)7-9(3)4/h5,9H,6-7H2,1-4H3

InChI Key

SXWCTQGESRWYMK-UHFFFAOYSA-N

Formula

C10H18O2

SMILES

CC(C)=CCOC(=O)CC(C)C

Molecular Weight¹

170.25

Other Names

• Isopentenyl isovalerate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4811		Relay (1.0) Calculated Property
ΔfH°gas	-483.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.39	kJ/mol	Joback Calculated Property
ΔvapH°	57.08	kJ/mol	Relay (1.0) Calculated Property
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	-2.85		Relay (1.0) Calculated Property
logPoct/wat	2.542		Crippen Calculated Property
McVol	154.900	ml/mol	McGowan Calculated Property
Pc	2250.40	kPa	Joback Calculated Property
Inp	[1103.00; 1156.00]
Inp	1156.00		NIST
Inp	1146.00		NIST
Inp	1103.00		NIST
Inp	1146.00		NIST
Inp	1156.00		NIST
Inp	1103.00		NIST
Tboil	435.24	K	Relay (1.0) Calculated Property
Tc	646.54	K	Relay (1.0) Calculated Property
Tfus	208.36	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[345.02; 423.56]	J/mol×K	[490.22; 674.04]
Cp,gas	345.02	J/mol×K	490.22	Joback Calculated Property
Cp,gas	359.74	J/mol×K	520.86	Joback Calculated Property
Cp,gas	373.79	J/mol×K	551.49	Joback Calculated Property
Cp,gas	387.17	J/mol×K	582.13	Joback Calculated Property
Cp,gas	399.92	J/mol×K	612.77	Joback Calculated Property
Cp,gas	412.05	J/mol×K	643.40	Joback Calculated Property
Cp,gas	423.56	J/mol×K	674.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-methylbut-2-en-1-yl 3-methylbutanoate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.