Chemical Properties of Benzoic acid, 1-methylpropyl ester (CAS 3306-36-3)

Benzoic acid, 1-methylpropyl ester

PDF Excel Molecule Calculator
InChI
InChI=1S/C11H14O2/c1-3-9(2)13-11(12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChI Key
LSLWNAOQPPLHSW-UHFFFAOYSA-N
Formula
C11H14O2
SMILES
CCC(C)OC(=O)c1ccccc1
Molecular Weight1
178.23
CAS
3306-36-3
Other Names
  • 1-Methylpropyl benzoate
  • Sec-butyl benzoate
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
Δf -82.21 kJ/mol Joback Calculated Property
Δfgas -283.92 kJ/mol Joback Calculated Property
Δfus 17.55 kJ/mol Joback Calculated Property
Δvap 51.12 kJ/mol Joback Calculated Property
log10WS -3.08 Crippen Calculated Property
logPoct/wat 2.642 Crippen Calculated Property
McVol 149.530 ml/mol McGowan Calculated Property
Pc 2802.44 kPa Joback Calculated Property
Inp [1276.00; 1307.00]   Show Hide
Inp Outlier 1307.00 NIST
Inp 1276.00 NIST
Inp 1293.00 NIST
Inp 1288.00 NIST
Inp 1293.00 NIST
Inp 1301.00 NIST
Inp 1291.00 NIST
Inp 1280.00 NIST
Inp 1286.00 NIST
Inp 1292.00 NIST
Inp 1297.00 NIST
Inp 1285.00 NIST
Inp 1291.00 NIST
I [1741.00; 1792.00]   Show Hide
I 1771.00 NIST
I 1766.00 NIST
I 1774.00 NIST
I 1792.00 NIST
I 1741.00 NIST
I 1780.00 NIST
I 1749.00 NIST
I 1762.00 NIST
I 1752.00 NIST
I 1741.00 NIST
Tboil 553.61 K Joback Calculated Property
Tc 767.42 K Joback Calculated Property
Tfus 297.31 K Joback Calculated Property
Vc 0.561 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [346.73; 423.32] J/mol×K [553.61; 767.42] Show Hide
Cp,gas 346.73 J/mol×K 553.61 Joback Calculated Property
Cp,gas 361.56 J/mol×K 589.25 Joback Calculated Property
Cp,gas 375.53 J/mol×K 624.88 Joback Calculated Property
Cp,gas 388.67 J/mol×K 660.52 Joback Calculated Property
Cp,gas 401.00 J/mol×K 696.15 Joback Calculated Property
Cp,gas 412.55 J/mol×K 731.79 Joback Calculated Property
Cp,gas 423.32 J/mol×K 767.42 Joback Calculated Property
η [0.0001883; 0.0030377] Pa×s [297.31; 553.61] Show Hide
η 0.0030377 Pa×s 297.31 Joback Calculated Property
η 0.0014284 Pa×s 340.03 Joback Calculated Property
η 0.0007949 Pa×s 382.74 Joback Calculated Property
η 0.0004976 Pa×s 425.46 Joback Calculated Property
η 0.0003393 Pa×s 468.18 Joback Calculated Property
η 0.0002466 Pa×s 510.89 Joback Calculated Property
η 0.0001883 Pa×s 553.61 Joback Calculated Property

Similar Compounds

4-Chlorobenzoic acid, 2-butyl ester. sec-Butyl 3-chlorobenzoate. Di-sec-butyl phthalate. Benzoic acid, 1,2-dimethylpropyl ester. 1,3-Butanediol, dibenzoate. Benzoic acid, 4-hydroxy-, 1-methylpropyl ester. sec-Butyl 4-hydroxybenzoate. Benzoic acid, 3,3-dimethylbut-2-yl ester. Benzoic acid, 4-(methylthio)-, 1-methylpropyl ester. Benzoic acid, 4-methoxy-, 1-methylpropyl ester. 2-Chlorobenzoic acid, 2-butyl ester. Benzoic acid, hex-2-yl ester. Benzoic acid, hex-3-yl ester. Benzoic acid, 4-amino-, 1-methylpropyl ester. Benzoic acid, 3-hydroxy-, 1-methylpropyl ester.

Find more compounds similar to Benzoic acid, 1-methylpropyl 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.