Chemical Properties of 2-Nitro-2-isopropyl-1,3-propanediol (CAS 62155-31-1)

2-Nitro-2-isopropyl-1,3-propanediol

InChI
InChI=1S/C6H13NO4/c1-5(2)6(3-8,4-9)7(10)11/h5,8-9H,3-4H2,1-2H3
InChI Key
UREFUUVULNQGAM-UHFFFAOYSA-N
Formula
C6H13NO4
SMILES
CC(C)C(CO)(CO)[N+](=O)[O-]
Molecular Weight1
163.17
CAS
62155-31-1
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 0.7528 Relay (1.0) Calculated Property
Δf -238.05 kJ/mol Joback Calculated Property
Δfgas -447.36 kJ/mol Relay (1.0) Calculated Property
Δfus 19.90 kJ/mol Joback Calculated Property
Δvap 76.08 kJ/mol Relay (1.0) Calculated Property
IE 10.14 eV Relay (1.0) Calculated Property
log10WS -1.91 Relay (1.0) Calculated Property
logPoct/wat -0.358 Crippen Calculated Property
McVol 124.560 ml/mol McGowan Calculated Property
Pc 4051.80 kPa Joback Calculated Property
Tboil 525.68 K Relay (1.0) Calculated Property
Tc 768.52 K Relay (1.0) Calculated Property
Tfus 376.72 K Relay (1.0) Calculated Property
Vc 0.406 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [346.53; 391.04] J/mol×K [669.21; 862.16] Show Hide
Cp,gas 346.53 J/mol×K 669.21 Joback Calculated Property
Cp,gas 355.16 J/mol×K 701.37 Joback Calculated Property
Cp,gas 363.26 J/mol×K 733.53 Joback Calculated Property
Cp,gas 370.87 J/mol×K 765.68 Joback Calculated Property
Cp,gas 378.01 J/mol×K 797.84 Joback Calculated Property
Cp,gas 384.72 J/mol×K 830.00 Joback Calculated Property
Cp,gas 391.04 J/mol×K 862.16 Joback Calculated Property

Similar Compounds

2-Nitro-2-ethyl-1,3-propanediol. 2-Nitro-2-methyl-1-butanol. 2-Nitro-3-methyl-1-butanol. 2-Amino-2-ethyl-1,3-propanediol. 1H-Pyrrolizine-1-methanol, hexahydro-7-hydroxy-, [1S-(1«alpha»,7«alpha»,7a«beta»)]-. Retamine. Tashiromine. 13-Epihydroxyisolupanine. 14-epi-Hydroxysparteine. 3«beta»,13«alpha»-Dihydroxylupanine. 14-«alpha»-Hydroxysparteine. 3«beta»-Hydroxylupanine. 7-Hydroxylupanine. 2H-Quinolizine-1-methanol, octahydro-, (1S-cis)-. 2H-Quinolizine-1-methanol, octahydro-, (1R-trans)-.

Find more compounds similar to 2-Nitro-2-isopropyl-1,3-propanediol.

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.