Chemical Properties of Di-(2-ethylbutyl)-2,5-diphenyl adipate (CAS 116435-61-1)

Di-(2-ethylbutyl)-2,5-diphenyl adipate

InChI
InChI=1S/C30H42O4/c1-5-23(6-2)21-33-29(31)27(25-15-11-9-12-16-25)19-20-28(26-17-13-10-14-18-26)30(32)34-22-24(7-3)8-4/h9-18,23-24,27-28H,5-8,19-22H2,1-4H3
InChI Key
JYJRMRSDLBQCKK-UHFFFAOYSA-N
Formula
C30H42O4
SMILES
CCC(CC)COC(=O)C(CCC(C(=O)OCC(CC)CC)c1ccccc1)c1ccccc1
Molecular Weight1
466.65
CAS
116435-61-1
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Physical Properties

Property Value Unit Source
ΔfusH° 56.18 kJ/mol Joback Calculated Property
log10WS -6.86 Relay (1.0) Calculated Property
logPoct/wat 7.293 Crippen Calculated Property
McVol 400.920 ml/mol McGowan Calculated Property
Pc 868.11 kPa Joback Calculated Property
Tboil 718.27 K Relay (1.0) Calculated Property
Tfus 309.67 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1371.56; 1434.83] J/mol×K [1054.04; 1290.45] Show Hide
Cp,gas 1371.56 J/mol×K 1054.04 Joback Calculated Property
Cp,gas 1386.22 J/mol×K 1093.44 Joback Calculated Property
Cp,gas 1399.09 J/mol×K 1132.84 Joback Calculated Property
Cp,gas 1410.29 J/mol×K 1172.25 Joback Calculated Property
Cp,gas 1419.91 J/mol×K 1211.65 Joback Calculated Property
Cp,gas 1428.06 J/mol×K 1251.05 Joback Calculated Property
Cp,gas 1434.83 J/mol×K 1290.45 Joback Calculated Property
η [0.0000062; 0.0004410] Pa×s [505.36; 1054.04] Show Hide
η 0.0004410 Pa×s 505.36 Joback Calculated Property
η 0.0001260 Pa×s 596.81 Joback Calculated Property
η 0.0000502 Pa×s 688.25 Joback Calculated Property
η 0.0000248 Pa×s 779.70 Joback Calculated Property
η 0.0000142 Pa×s 871.15 Joback Calculated Property
η 0.0000091 Pa×s 962.59 Joback Calculated Property
η 0.0000062 Pa×s 1054.04 Joback Calculated Property

Similar Compounds

Butyric acid, 2-phenyl-, 2-ethylhexyl ester. Butyric acid, 2-phenyl-, cyclohexylmethyl ester. Butyric acid, 2-phenyl-, 4-methyl-2-pentyl ester. Butyric acid, 2-phenyl-, 2-methylpent-3-yl ester. Butyric acid, 2-phenyl-, dec-2-yl ester. Butyric acid, 2-phenyl-, 2-methyloct-5-yn-4-yl ester. Butyric acid, 2-phenyl-, hept-2-yl ester. Poligodial + Phe (methyl ester) adduct, (S). Poligodial + Phe (methyl ester) adduct, (R). Methylphenidate. Poligodial + m-Tyr (ethyl ester) adduct (R,S). Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. 4-Piperidyl cyclopentylphenylglycolate. Butyric acid, 2-phenyl-, pent-2-yl ester.

Find more compounds similar to Di-(2-ethylbutyl)-2,5-diphenyl adipate.

Sources

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