Chemical Properties of 2-Pentenal, 2,4,4-trimethyl- (CAS 53907-61-2)

InChI

InChI=1S/C8H14O/c1-7(6-9)5-8(2,3)4/h5-6H,1-4H3/b7-5+

InChI Key

ANXYYWCILNEABR-FNORWQNLSA-N

Formula

C8H14O

SMILES

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

Molecular Weight¹

126.20

CAS

53907-61-2

Other Names

• 2,4,4-Trimethyl-2-pentenal

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-186.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.24	kJ/mol	Joback Calculated Property
ΔvapH°	45.34	kJ/mol	Relay (1.0) Calculated Property
IE	9.27	eV	Relay (1.0) Calculated Property
logPoct/wat	2.178		Crippen Calculated Property
McVol	120.850	ml/mol	McGowan Calculated Property
I	[1254.00; 1254.00]
I	1254.00		NIST
I	1254.00		NIST
Tboil	429.28	K	Relay (1.0) Calculated Property
Tfus	233.38	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[243.32; 312.50]	J/mol×K	[431.91; 626.48]
Cp,gas	243.32	J/mol×K	431.91	Joback Calculated Property
Cp,gas	256.71	J/mol×K	464.34	Joback Calculated Property
Cp,gas	269.30	J/mol×K	496.77	Joback Calculated Property
Cp,gas	281.13	J/mol×K	529.19	Joback Calculated Property
Cp,gas	292.25	J/mol×K	561.62	Joback Calculated Property
Cp,gas	302.69	J/mol×K	594.05	Joback Calculated Property
Cp,gas	312.50	J/mol×K	626.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentenal, 2,4,4-trimethyl-.

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.
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