Chemical Properties of 1,3-Propanediol, 2-amino-1-(4-nitrophenyl)- (CAS 119-62-0)

1,3-Propanediol, 2-amino-1-(4-nitrophenyl)-

InChI
InChI=1S/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2
InChI Key
OCYJXSUPZMNXEN-UHFFFAOYSA-N
Formula
C9H12N2O4
SMILES
NC(CO)C(O)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
212.20
CAS
119-62-0
Other Names
  • 1-(p-Nitrophenyl)-2-amino-1,3-propanediol
  • 1,3-Propanediol, 2-amino-1-(p-nitrophenyl)-
  • Phenylpropanol, «alpha»-amino-«beta»-hydroxy-4-nitro-
  • 2-amino-1-(4-nitrophenyl)propane-1,3-diol
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Physical Properties

Property Value Unit Source
ω 0.9022 Relay (1.0) Calculated Property
ΔcH°solid -4934.36 kJ/mol NIST
ΔfG° -48.84 kJ/mol Joback Calculated Property
ΔfH°gas -290.54 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 30.41 kJ/mol Joback Calculated Property
ΔvapH° 119.65 kJ/mol Relay (1.0) Calculated Property
IE 9.53 eV Relay (1.0) Calculated Property
log10WS -1.36 Relay (1.0) Calculated Property
logPoct/wat -0.052 Crippen Calculated Property
McVol 153.050 ml/mol McGowan Calculated Property
Pc 4462.28 kPa Joback Calculated Property
Tboil 630.06 K Relay (1.0) Calculated Property
Tc 913.99 K Relay (1.0) Calculated Property
Tfus 425.90 K Relay (1.0) Calculated Property
Vc 0.510 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [452.77; 492.44] J/mol×K [844.83; 1064.91] Show Hide
Cp,gas 452.77 J/mol×K 844.83 Joback Calculated Property
Cp,gas 460.81 J/mol×K 881.51 Joback Calculated Property
Cp,gas 468.22 J/mol×K 918.19 Joback Calculated Property
Cp,gas 475.04 J/mol×K 954.87 Joback Calculated Property
Cp,gas 481.33 J/mol×K 991.55 Joback Calculated Property
Cp,gas 487.11 J/mol×K 1028.23 Joback Calculated Property
Cp,gas 492.44 J/mol×K 1064.91 Joback Calculated Property

Similar Compounds

Chloramphenicol. N-Stearoyldextramine. Thiamphenicol. Acetamide, 2,2-dichloro-n-[beta-hydroxy-alpha-(hydroxymethyl)-p-[(trifluoromethyl)sulfonyl]-phenethyl]-, threo-. hydrocinchonine. Isoxsuprine. Thymidine, 3',5'-bis(O-TMTBSi). Uridine, 2',5'-bis-O-TBDMS, 3'-O-TFA. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-isopropylsilyl. Cytosine arabinoside, dimethyl-allyldimethylsilyl derivative. Thymidine, 3'-O-TMS, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TBDMS. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-tertbutylsilyl. Baptifoline.

Find more compounds similar to 1,3-Propanediol, 2-amino-1-(4-nitrophenyl)-.

Sources

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