Chemical Properties of 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, nonanoate, 2-ethylhexanoate (CAS 116401-23-1)

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

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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
410.63
CAS
116401-23-1
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Physical Properties

Property Value Unit Source
ω 0.9743 Relay (... Calculated Property
ΔfG° -296.12 kJ/mol Joback Calculated Property
ΔfH°gas -1125.47 kJ/mol Relay (... Calculated Property
ΔfusH° 49.21 kJ/mol Joback Calculated Property
ΔvapH° 104.31 kJ/mol Relay (... Calculated Property
IE 9.06 eV Relay (... Calculated Property
log10WS -6.46 Relay (... Calculated Property
logPoct/wat 6.843 Crippen Calculated Property
McVol 367.130 ml/mol McGowan Calculated Property
Pc 879.48 kPa Joback Calculated Property
Tboil 616.05 K Relay (... Calculated Property
Tc 837.67 K Relay (... Calculated Property
Tfus 269.16 K Relay (... Calculated Property
Vc 1.357 m3/kmol Relay (... Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1280.90; 1440.60] J/mol×K [921.02; 1127.99] Show Hide
Cp,gas 1280.90 J/mol×K 921.02 Joback Calculated Property
Cp,gas 1307.12 J/mol×K 955.52 Joback Calculated Property
Cp,gas 1333.25 J/mol×K 990.01 Joback Calculated Property
Cp,gas 1359.48 J/mol×K 1024.51 Joback Calculated Property
Cp,gas 1386.00 J/mol×K 1059.00 Joback Calculated Property
Cp,gas 1412.98 J/mol×K 1093.50 Joback Calculated Property
Cp,gas 1440.60 J/mol×K 1127.99 Joback 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. Butanoic acid, 2-methyl, bornyl ester. isobornyl2-methylbutanoate. «alpha»-Kessyl hexanoate. Bornyl hexanoate. Isobornyl laureate. Isobornyl caprate. 1,2-Cyclohexanedicarboxylic acid, di(2-methylcyclohexyl) ester. 2«alpha»-Methyl-dihydrotestosterone propioate.

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

Sources

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