Chemical Properties of 3-Methylbut-2-en-1-yl 3-methylbut-2-enoate

InChI

InChI=1S/C10H16O2/c1-8(2)5-6-12-10(11)7-9(3)4/h5,7H,6H2,1-4H3

InChI Key

CBERZXRMIOEKPW-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

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

Molecular Weight¹

168.24

Other Names

• 3-methylbut-2-en-1-yl 3-methylbut-2-enoate
• 3-methyl-2-butenyl 3-methyl-2-butenoate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	23.81	kJ/mol	Joback Calculated Property
ΔvapH°	64.09	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.462		Crippen Calculated Property
McVol	150.600	ml/mol	McGowan Calculated Property
Inp	[1208.00; 1245.00]
Inp	1245.00		NIST
Inp	1245.00		NIST
Inp	1237.00		NIST
Inp	1234.70		NIST
Inp	Outlier 1208.00		NIST
Inp	1234.70		NIST
Tboil	475.50	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[327.68; 402.46]	J/mol×K	[494.70; 686.35]
Cp,gas	327.68	J/mol×K	494.70	Joback Calculated Property
Cp,gas	341.89	J/mol×K	526.64	Joback Calculated Property
Cp,gas	355.37	J/mol×K	558.58	Joback Calculated Property
Cp,gas	368.13	J/mol×K	590.53	Joback Calculated Property
Cp,gas	380.22	J/mol×K	622.47	Joback Calculated Property
Cp,gas	391.65	J/mol×K	654.41	Joback Calculated Property
Cp,gas	402.46	J/mol×K	686.35	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.