Chemical Properties of 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, nonanoate, 2-ethylhexanoate

1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, nonanoate, 2-ethylhexanoate

InChI
InChI=1S/C25H46O4/c1-8-11-13-14-15-16-18-20(26)28-22-24(4,5)23(25(22,6)7)29-21(27)19(10-3)17-12-9-2/h19,22-23H,8-18H2,1-7H3
InChI Key
WKCWUKVEWJJOQL-UHFFFAOYSA-N
Formula
C25H46O4
SMILES
CCCCCCCCC(=O)OC1C(C)(C)C(OC(=O)C(CC)CCCC)C1(C)C
Molecular Weight1
410.64
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Physical Properties

Property Value Unit Source
ΔfH°gas -1125.47 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 52.37 kJ/mol Joback Calculated Property
ΔvapH° 105.73 kJ/mol Relay (1.0) Calculated Property
log10WS -6.46 Relay (1.0) Calculated Property
logPoct/wat 6.843 Crippen Calculated Property
McVol 367.130 ml/mol McGowan Calculated Property
Pc 838.21 kPa Joback Calculated Property
Tboil 616.05 K Relay (1.0) Calculated Property
Tc 841.55 K Relay (1.0) Calculated Property
Tfus 263.09 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [538.79; 1342.01] 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-1.08229e+02
Coefficient B2.92084e+00
Coefficient C-2.22300e-03
Coefficient D7.52400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 538.79 J/mol×K 273.00 Calculated Property
Cp,gas 680.19 J/mol×K 353.78 Calculated Property
Cp,gas 802.99 J/mol×K 434.56 Calculated Property
Cp,gas 909.59 J/mol×K 515.33 Calculated Property
Cp,gas 1002.36 J/mol×K 596.11 Calculated Property
Cp,gas 1083.67 J/mol×K 676.89 Calculated Property
Cp,gas 1155.91 J/mol×K 757.67 Calculated Property
Cp,gas 1221.47 J/mol×K 838.44 Calculated Property
Cp,gas 1282.71 J/mol×K 919.22 Calculated Property
Cp,gas 1342.01 J/mol×K 1000.00 Calculated Property

Similar Compounds

1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, mono(2-ethylhexanoate). 1,3-Cyclobutanediol, 2,4-diethyl-2,4-dimethyl-, dipelargonate. 1,3,5-Cyclohexanetriol, 2,2,4,4,6,6-hexamethyl-, tripelargonate. 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, monopelargonate. Nonanedioic acid, bis(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl) ester. 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, monohexanoate. Bornyl 2-methylbutanoate. isobornyl2-methylbutanoate. Butanoic acid, 2-methyl, bornyl ester. .alpha.-Kessyl hexanoate. Isobornyl laureate. Bornyl hexanoate. Isobornyl caprate. 1,2-Cyclohexanedicarboxylic acid, di(2-methylcyclohexyl) ester. Dromostanolone Propionate.

Find more compounds similar to 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, nonanoate, 2-ethylhexanoate.

Sources

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