Chemical Properties of Carbonic acid, butyl 4-cyanophenyl ester

Carbonic acid, butyl 4-cyanophenyl ester

InChI
InChI=1S/C12H13NO3/c1-2-3-8-15-12(14)16-11-6-4-10(9-13)5-7-11/h4-7H,2-3,8H2,1H3
InChI Key
MPQJLBILJZIJSZ-UHFFFAOYSA-N
Formula
C12H13NO3
SMILES
CCCCOC(=O)Oc1ccc(C#N)cc1
Molecular Weight1
219.24
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.7199 Relay (1.0) Calculated Property
ΔfH°gas -370.21 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 27.55 kJ/mol Joback Calculated Property
ΔvapH° 86.43 kJ/mol Relay (1.0) Calculated Property
IE 9.32 eV Relay (1.0) Calculated Property
log10WS -3.93 Relay (1.0) Calculated Property
logPoct/wat 2.874 Crippen Calculated Property
McVol 170.870 ml/mol McGowan Calculated Property
Pc 2287.14 kPa Joback Calculated Property
Inp 1753.00 NIST
Tboil 587.81 K Relay (1.0) Calculated Property
Tc 778.92 K Relay (1.0) Calculated Property
Tfus 285.84 K Relay (1.0) Calculated Property
Vc 0.633 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [441.94; 502.64] J/mol×K [688.54; 904.54] Show Hide
Cp,gas 441.94 J/mol×K 688.54 Joback Calculated Property
Cp,gas 454.16 J/mol×K 724.54 Joback Calculated Property
Cp,gas 465.53 J/mol×K 760.54 Joback Calculated Property
Cp,gas 476.06 J/mol×K 796.54 Joback Calculated Property
Cp,gas 485.75 J/mol×K 832.54 Joback Calculated Property
Cp,gas 494.61 J/mol×K 868.54 Joback Calculated Property
Cp,gas 502.64 J/mol×K 904.54 Joback Calculated Property

Similar Compounds

Carbonic acid, propyl 4-cyanophenyl ester. Carbonic acid, butyl phenyl ester. Carbonic acid, butyl 4-methoxyphenyl ester. Carbonic acid, butyl 3-methylphenyl ester. Carbonic acid, butyl 4-chlorophenyl ester. Carbonic acid, isobutyl 4-cyanophenyl ester. Carbonic acid, butyl 3,5-dimethylphenyl ester. Benzoic acid, 4-[(butoxycarbonyl)oxy]-, 4-ethoxyphenyl ester. Carbonic acid, butyl 4-benzyloxyphenyl ester. Carbonic acid, butyl 4-nitrophenyl ester. Carbonic acid, butyl 3,4-dichlorophenyl ester. Carbonic acid, butyl 3,5-difluophenyl ester. Diglycolic acid, butyl 4-cyanophenyl ester. Carbonic acid, propyl 3-methylphenyl ester. Carbonic acid, neopentyl 4-cyanophenyl ester.

Find more compounds similar to Carbonic acid, butyl 4-cyanophenyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.