Chemical Properties of Retinoic acid, methyl ester (CAS 339-16-2)

Retinoic acid, methyl ester

PDF Excel Molecule Calculator
InChI
InChI=1S/C21H30O2/c1-16(9-7-10-17(2)15-20(22)23-6)12-13-19-18(3)11-8-14-21(19,4)5/h7,9-10,12-13,15H,8,11,14H2,1-6H3/b10-7+,13-12+,16-9+,17-15+
InChI Key
SREQLAJQLXPNMC-DXYSAURFSA-N
Formula
C21H30O2
SMILES
COC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
Molecular Weight1
314.46
CAS
339-16-2
Other Names
  • Retinoic acid, methyl ester, all-trans-
  • All-trans-Vitamin A acid methyl ester
  • Methyl retinoate
  • Ro 4-3781
  • Vitamin A acid methyl ester
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 225.46 kJ/mol Joback Calculated Property
Δfgas -167.87 kJ/mol Joback Calculated Property
Δfus 37.10 kJ/mol Joback Calculated Property
Δvap 72.38 kJ/mol Joback Calculated Property
log10WS -6.40 Crippen Calculated Property
logPoct/wat 5.691 Crippen Calculated Property
McVol 281.830 ml/mol McGowan Calculated Property
Pc 1357.63 kPa Joback Calculated Property
Inp [2528.00; 2528.00]   Show Hide
Inp 2528.00 NIST
Inp 2528.00 NIST
Inp 2528.00 NIST
Tboil 801.48 K Joback Calculated Property
Tc 1021.53 K Joback Calculated Property
Tfus 407.43 K Joback Calculated Property
Vc 1.075 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [836.85; 953.78] J/mol×K [801.48; 1021.53] Show Hide
Cp,gas 836.85 J/mol×K 801.48 Joback Calculated Property
Cp,gas 857.14 J/mol×K 838.16 Joback Calculated Property
Cp,gas 876.86 J/mol×K 874.83 Joback Calculated Property
Cp,gas 896.19 J/mol×K 911.51 Joback Calculated Property
Cp,gas 915.34 J/mol×K 948.18 Joback Calculated Property
Cp,gas 934.47 J/mol×K 984.86 Joback Calculated Property
Cp,gas 953.78 J/mol×K 1021.53 Joback Calculated Property

Similar Compounds

Retinol, acetate. Retinal, 9-cis-. Retinal. Retinol. «beta» Carotene. Retinyl butanoate. Retinyl octanoate. Vitamin A palmitate. Retinol, hexadecanoate, 11-cis-. Retinyl decanoate. Retinyl dodecanoate. Retinyl hexanoate. Anhydroretinol. «alpha»-Pyrovetivene. B-Ionene.

Find more compounds similar to Retinoic acid, methyl 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.