Chemical Properties of 1-Phenylcyclohexane-cis-1,2-diol-diacetate (CAS 23313-45-3)

1-Phenylcyclohexane-cis-1,2-diol-diacetate

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InChI
InChI=1S/C16H20O4/c1-12(17)19-15-10-6-7-11-16(15,20-13(2)18)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3
InChI Key
SCUWPBGPZZKNHQ-UHFFFAOYSA-N
Formula
C16H20O4
SMILES
CC(=O)OC1CCCCC1(OC(C)=O)c1ccccc1
Molecular Weight1
276.33
CAS
23313-45-3
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Physical Properties

Property Value Unit Source
ΔcH°solid -8302.30 kJ/mol NIST
ΔfG° -260.34 kJ/mol Joback Calculated Property
ΔfH°gas -577.42 kJ/mol Joback Calculated Property
ΔfusH° 23.42 kJ/mol Joback Calculated Property
ΔvapH° 70.77 kJ/mol Joback Calculated Property
log10WS -3.52 Crippen Calculated Property
logPoct/wat 2.951 Crippen Calculated Property
McVol 216.560 ml/mol McGowan Calculated Property
Pc 2237.64 kPa Joback Calculated Property
Tboil 759.86 K Joback Calculated Property
Tc 996.52 K Joback Calculated Property
Tfus 467.86 K Joback Calculated Property
Vc 0.801 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [641.32; 739.08] J/mol×K [759.86; 996.52] Show Hide
Cp,gas 641.32 J/mol×K 759.86 Joback Calculated Property
Cp,gas 659.68 J/mol×K 799.30 Joback Calculated Property
Cp,gas 677.04 J/mol×K 838.75 Joback Calculated Property
Cp,gas 693.53 J/mol×K 878.19 Joback Calculated Property
Cp,gas 709.28 J/mol×K 917.63 Joback Calculated Property
Cp,gas 724.42 J/mol×K 957.07 Joback Calculated Property
Cp,gas 739.08 J/mol×K 996.52 Joback Calculated Property

Similar Compounds

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Sources

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