Chemical Properties of 1-Naphthoic acid, 2-methyloct-5-yn-4-yl ester

1-Naphthoic acid, 2-methyloct-5-yn-4-yl ester

InChI
InChI=1S/C20H22O2/c1-4-5-11-17(14-15(2)3)22-20(21)19-13-8-10-16-9-6-7-12-18(16)19/h6-10,12-13,15,17H,4,14H2,1-3H3
InChI Key
FTLGLKKAVPEDNW-UHFFFAOYSA-N
Formula
C20H22O2
SMILES
CCC#CC(CC(C)C)OC(=O)c1cccc2ccccc12
Molecular Weight1
294.39
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 38.67 kJ/mol Joback Calculated Property
IE 8.19 eV Relay (1.0) Calculated Property
logPoct/wat 4.825 Crippen Calculated Property
McVol 248.280 ml/mol McGowan Calculated Property
Inp [2229.00; 2229.00]   Show Hide
Inp 2229.00 NIST
Inp 2229.00 NIST
Tboil 637.62 K Relay (1.0) Calculated Property
Tfus 296.54 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, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [332.86; 786.86] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.67380e+01
Coefficient B1.56896e+00
Coefficient C-9.84740e-04
Coefficient D2.29380e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 332.86 J/mol×K 273.00 Calculated Property
Cp,gas 415.23 J/mol×K 353.78 Calculated Property
Cp,gas 487.93 J/mol×K 434.56 Calculated Property
Cp,gas 551.68 J/mol×K 515.33 Calculated Property
Cp,gas 607.20 J/mol×K 596.11 Calculated Property
Cp,gas 655.23 J/mol×K 676.89 Calculated Property
Cp,gas 696.48 J/mol×K 757.67 Calculated Property
Cp,gas 731.69 J/mol×K 838.44 Calculated Property
Cp,gas 761.57 J/mol×K 919.22 Calculated Property
Cp,gas 786.86 J/mol×K 1000.00 Calculated Property

Similar Compounds

1-Naphthoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, di(2-methyloct-5-yn-4-yl) ester. 3-fluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, butyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl propyl ester. Isophthalic acid, ethyl 2-methyloct-5-yn-4-yl ester. 3-Trifluoromethylbenzoic acid, 2-methyloct-5-yn-4-yl ester. 4-Fluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, isobutyl 2-methyloct-5-yn-4-yl ester. 4-Cyanobenzoic acid, 2-methyloct-5-yn-4-yl ester. 4-Chlorobenzoic acid, 2-methyloct-5-yn-4-yl ester. p-Toluic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl pentyl ester. 2-Chlorobenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, heptyl 2-methyloct-5-yn-4-yl ester.

Find more compounds similar to 1-Naphthoic acid, 2-methyloct-5-yn-4-yl ester.

Sources

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.