Chemical Properties of Anhalonidine (CAS 17627-77-9)

Anhalonidine

InChI
InChI=1S/C12H17NO3/c1-7-10-8(4-5-13-7)6-9(15-2)12(16-3)11(10)14/h6-7,13-14H,4-5H2,1-3H3
InChI Key
PRNZAMQMBOFSJY-UHFFFAOYSA-N
Formula
C12H17NO3
SMILES
COc1cc2c(c(O)c1OC)C(C)NCC2
Molecular Weight1
223.27
CAS
17627-77-9
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 0.7255 Relay (1.0) Calculated Property
Δf -94.58 kJ/mol Joback Calculated Property
Δfgas -366.50 kJ/mol Relay (1.0) Calculated Property
Δfus 33.49 kJ/mol Joback Calculated Property
Δvap 101.00 kJ/mol Relay (1.0) Calculated Property
IE 7.58 eV Relay (1.0) Calculated Property
log10WS -1.23 Relay (1.0) Calculated Property
logPoct/wat 1.616 Crippen Calculated Property
McVol 172.910 ml/mol McGowan Calculated Property
Pc 3124.49 kPa Joback Calculated Property
Inp 1825.00 NIST
Tboil 591.65 K Relay (1.0) Calculated Property
Tc 843.45 K Relay (1.0) Calculated Property
Tfus 434.29 K Relay (1.0) Calculated Property
Vc 0.618 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [486.23; 565.08] J/mol×K [700.60; 933.64] Show Hide
Cp,gas 486.23 J/mol×K 700.60 Joback Calculated Property
Cp,gas 501.40 J/mol×K 739.44 Joback Calculated Property
Cp,gas 515.69 J/mol×K 778.28 Joback Calculated Property
Cp,gas 529.15 J/mol×K 817.12 Joback Calculated Property
Cp,gas 541.84 J/mol×K 855.96 Joback Calculated Property
Cp,gas 553.80 J/mol×K 894.80 Joback Calculated Property
Cp,gas 565.08 J/mol×K 933.64 Joback Calculated Property

Similar Compounds

1,2,3,4-Tetrahydroisoquinoline, 6,7,8-trimethoxy-1-methyl-. 1,3-Dioxolo[4,5-h]isoquinoline, 6,7,8,9-tetrahydro-4-methoxy-9-methyl-, (S)-. Pellotine. Naltrexone. Oxycodone TMS derivative. Nalbuphine, O,O,O-tris(trimethylsilyl) deriv.. Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, (5«alpha»)-. Oxycodone, trimethylsilyl ether. Oxycodone. Oxymorphone. N-Desmethylmirtazapine. Naloxone, bis(trimethylsilyl) ether. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-. Oxymorphone, bis(trimethylsilyl) ether. Naloxone.

Find more compounds similar to Anhalonidine.

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.