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

Retinoic acid, methyl ester

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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
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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

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