Chemical Properties of Pentanoic acid, 4-methyl-4-nitro-, methyl ester (CAS 16507-02-1)

Pentanoic acid, 4-methyl-4-nitro-, methyl ester

InChI
InChI=1S/C7H13NO4/c1-7(2,8(10)11)5-4-6(9)12-3/h4-5H2,1-3H3
InChI Key
MROVMGGCWUQHMR-UHFFFAOYSA-N
Formula
C7H13NO4
SMILES
COC(=O)CCC(C)(C)[N+](=O)[O-]
Molecular Weight1
175.18
CAS
16507-02-1
Other Names
  • Valeric acid, 4-methyl-4-nitro-, methyl ester
  • Methyl 4-methyl-4-nitropentanoate
  • Methyl 4-nitro-4-valerate
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Physical Properties

Property Value Unit Source
ω 0.5110 Relay (1.0) Calculated Property
ΔfG° -187.47 kJ/mol Joback Calculated Property
ΔfH°gas -497.12 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 20.62 kJ/mol Joback Calculated Property
ΔvapH° 67.90 kJ/mol Relay (1.0) Calculated Property
IE 10.03 eV Relay (1.0) Calculated Property
log10WS -1.86 Relay (1.0) Calculated Property
logPoct/wat 0.995 Crippen Calculated Property
McVol 134.350 ml/mol McGowan Calculated Property
Pc 3042.32 kPa Joback Calculated Property
Tboil 482.96 K Relay (1.0) Calculated Property
Tc 686.37 K Relay (1.0) Calculated Property
Tfus 305.10 K Relay (1.0) Calculated Property
Vc 0.478 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [336.46; 398.77] J/mol×K [584.46; 802.30] Show Hide
Cp,gas 336.46 J/mol×K 584.46 Joback Calculated Property
Cp,gas 348.67 J/mol×K 620.77 Joback Calculated Property
Cp,gas 360.11 J/mol×K 657.07 Joback Calculated Property
Cp,gas 370.81 J/mol×K 693.38 Joback Calculated Property
Cp,gas 380.80 J/mol×K 729.69 Joback Calculated Property
Cp,gas 390.11 J/mol×K 766.00 Joback Calculated Property
Cp,gas 398.77 J/mol×K 802.30 Joback Calculated Property

Similar Compounds

Hexanedioic acid, 3-methyl-, dimethyl ester. Heptanedioic acid, 4-methyl-, dimethyl ester. Hexanoic acid, 4-methyl-, methyl ester. Butanoic acid, 4-nitro-, methyl ester. Pentane, 2,4-dimethyl-2-nitro-. Tricyclo[3.3.1.1(3,7)]decane, 1-nitro-. Cholan-24-oic acid, 3-oxo-, methyl ester, (5«beta»)-. 4-Methylheptanoic acid, methyl ester. Pentanoic acid, 4-methyl-, methyl ester. 3-Cyclopentylpropionic acid, methyl ester. Glutaric acid, monoamide, N-(1-adamantyl)-, ethyl ester. Adipic acid, isohexyl pent-4-enyl ester. Octadecanoic acid, 4-methyl-, methyl ester. 4-Methyldecanoic acid, methyl ester. Octanoic acid, 4-methyl-, methyl ester.

Find more compounds similar to Pentanoic acid, 4-methyl-4-nitro-, methyl ester.

Sources

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