Chemical Properties of Methyl (Z)-dec-2-en-4,6-diynoate (CAS 505-01-1)

InChI

InChI=1S/C11H12O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,3-4H2,1-2H3/b10-9-

InChI Key

LWONXTYZMYZRSU-KTKRTIGZSA-N

Formula

C11H12O2

SMILES

CCCC#CC#CC=CC(=O)OC

Molecular Weight¹

176.21

CAS

505-01-1

Other Names

• Lachnophyllum ester, cis
• (Z)-Lachnophyllum acid, methyl ester
• 2-Decene-4,6-diynoic acid, methyl ester, (Z)-
• cis-Lachnophyllum ester
• (Z)-2-Lachnophyllum ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• 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
ΔfusH°	35.06	kJ/mol	Joback Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
log10WS	-2.88		Relay (1.0) Calculated Property
logPoct/wat	1.522		Crippen Calculated Property
McVol	151.790	ml/mol	McGowan Calculated Property
Inp	[1471.00; 1539.00]
Inp	1539.00		NIST
Inp	1504.00		NIST
Inp	1471.00		NIST
Inp	1512.00		NIST
Inp	1491.00		NIST
Inp	1502.00		NIST
Inp	1493.00		NIST
Inp	1471.00		NIST
I	2250.00		NIST
Tboil	475.30	K	Relay (1.0) Calculated Property
Tfus	286.13	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[322.01; 391.36]	J/mol×K	[531.66; 754.29]
Cp,gas	322.01	J/mol×K	531.66	Joback Calculated Property
Cp,gas	335.31	J/mol×K	568.76	Joback Calculated Property
Cp,gas	347.89	J/mol×K	605.87	Joback Calculated Property
Cp,gas	359.76	J/mol×K	642.97	Joback Calculated Property
Cp,gas	370.95	J/mol×K	680.08	Joback Calculated Property
Cp,gas	381.48	J/mol×K	717.18	Joback Calculated Property
Cp,gas	391.36	J/mol×K	754.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl (Z)-dec-2-en-4,6-diynoate.

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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