Chemical Properties of Sarcosine, N-(4-bromobenzoyl)-, isohexyl ester

Sarcosine, N-(4-bromobenzoyl)-, isohexyl ester

InChI
InChI=1S/C16H22BrNO3/c1-12(2)5-4-10-21-15(19)11-18(3)16(20)13-6-8-14(17)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3
InChI Key
JCLOXHDIHPJQAH-UHFFFAOYSA-N
Formula
C16H22BrNO3
SMILES
CC(C)CCCOC(=O)CN(C)C(=O)c1ccc(Br)cc1
Molecular Weight1
356.25
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Physical Properties

Property Value Unit Source
ΔfusH° 41.60 kJ/mol Joback Calculated Property
logPoct/wat 3.501 Crippen Calculated Property
McVol 249.030 ml/mol McGowan Calculated Property
Inp [2429.00; 2429.00]   Show Hide
Inp 2429.00 NIST
Inp 2429.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [336.64; 767.98] 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-2.67600e+00
Coefficient B1.47066e+00
Coefficient C-8.84660e-04
Coefficient D1.84660e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 336.64 J/mol×K 273.00 Calculated Property
Cp,gas 415.06 J/mol×K 353.78 Calculated Property
Cp,gas 484.50 J/mol×K 434.56 Calculated Property
Cp,gas 545.54 J/mol×K 515.33 Calculated Property
Cp,gas 598.75 J/mol×K 596.11 Calculated Property
Cp,gas 644.73 J/mol×K 676.89 Calculated Property
Cp,gas 684.06 J/mol×K 757.67 Calculated Property
Cp,gas 717.33 J/mol×K 838.44 Calculated Property
Cp,gas 745.10 J/mol×K 919.22 Calculated Property
Cp,gas 767.98 J/mol×K 1000.00 Calculated Property

Similar Compounds

Sarcosine, N-(4-bromobenzoyl)-, pentyl ester. Sarcosine, N-(4-bromobenzoyl)-, hexyl ester. Sarcosine, N-(4-bromobenzoyl)-, dodecyl ester. Sarcosine, N-(4-bromobenzoyl)-, octyl ester. Sarcosine, N-(4-bromobenzoyl)-, heptyl ester. Sarcosine, N-(4-bromobenzoyl)-, decyl ester. Sarcosine, N-(4-bromobenzoyl)-, undecyl ester. Sarcosine, N-(4-bromobenzoyl)-, nonyl ester. Sarcosine, n-(4-methylbenzoyl)-, isohexyl ester. Sarcosine, n-(4-fluorobenzoyl)-, isohexyl ester. Sarcosine, N-(2-bromobenzoyl)-, isohexyl ester. Sarcosine, N-(4-chlorobenzoyl)-, isohexyl ester. Sarcosine, N-(4-trifluoromethylbenzoyl)-, isohexyl ester. Sarcosine, N-(4-bromobenzoyl)-, butyl ester. Sarcosine, N-(3-bromobenzoyl)-, hexyl ester.

Find more compounds similar to Sarcosine, N-(4-bromobenzoyl)-, isohexyl ester.

Sources

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