Chemical Properties of Formic acid, 4,4-dimethylpent-2-yl ester

Formic acid, 4,4-dimethylpent-2-yl ester

InChI
InChI=1S/C8H16O2/c1-7(10-6-9)5-8(2,3)4/h6-7H,5H2,1-4H3
InChI Key
HDPIKLHXOVSMRM-UHFFFAOYSA-N
Formula
C8H16O2
SMILES
CC(CC(C)(C)C)OC=O
Molecular Weight1
144.21
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Physical Properties

Property Value Unit Source
ω 0.4292 Relay (1.0) Calculated Property
ΔfG° -241.11 kJ/mol Joback Calculated Property
ΔfH°gas -505.79 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 11.59 kJ/mol Joback Calculated Property
ΔvapH° 48.42 kJ/mol Relay (1.0) Calculated Property
IE 10.12 eV Relay (1.0) Calculated Property
log10WS -2.36 Relay (1.0) Calculated Property
logPoct/wat 1.984 Crippen Calculated Property
McVol 131.020 ml/mol McGowan Calculated Property
Pc 2651.56 kPa Joback Calculated Property
Inp 881.00 NIST
Tboil 408.46 K Relay (1.0) Calculated Property
Tc 586.59 K Relay (1.0) Calculated Property
Tfus 230.28 K Relay (1.0) Calculated Property
Vc 0.467 m3/kmol Relay (1.0) Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [184.24; 426.04] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.55390e+01
Coefficient B9.43880e-01
Coefficient C-6.99200e-04
Coefficient D2.06900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 184.24 J/mol×K 273.00 Calculated Property
Cp,gas 230.03 J/mol×K 353.78 Calculated Property
Cp,gas 269.57 J/mol×K 434.56 Calculated Property
Cp,gas 303.50 J/mol×K 515.33 Calculated Property
Cp,gas 332.49 J/mol×K 596.11 Calculated Property
Cp,gas 357.17 J/mol×K 676.89 Calculated Property
Cp,gas 378.22 J/mol×K 757.67 Calculated Property
Cp,gas 396.27 J/mol×K 838.44 Calculated Property
Cp,gas 412.00 J/mol×K 919.22 Calculated Property
Cp,gas 426.04 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0059445; 0.0003960] Pa×s [226.04; 434.07] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.07777e+01
Coefficient B1.27767e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.226.04
Temperature range, max.434.07
η 0.0059445 Pa×s 226.04 Calculated Property
η 0.0035187 Pa×s 249.15 Calculated Property
η 0.0022767 Pa×s 272.27 Calculated Property
η 0.0015770 Pa×s 295.38 Calculated Property
η 0.0011522 Pa×s 318.50 Calculated Property
η 0.0008783 Pa×s 341.61 Calculated Property
η 0.0006929 Pa×s 364.72 Calculated Property
η 0.0005624 Pa×s 387.84 Calculated Property
η 0.0004672 Pa×s 410.95 Calculated Property
η 0.0003960 Pa×s 434.07 Calculated Property

Similar Compounds

CH3C(O)OCH(CH3)CH2C(CH3)3. Formic acid, 4-methylpent-2-yl ester. Succinic acid, di(4,4-dimethylpent-2-yl) ester. 4,4-Dimethyl-2-pentanol, chlorodifluoroacetate. Succinic acid, 4,4-dimethylpent-2-yl ethyl ester. 4-Methyl-2-pentyl acetate. 2-Pentanol, formate. Formic acid, 5-methylhex-2-yl ester. Glutaric acid, di(4,4-dimethylpent-2-yl) ester. Formic acid, hex-2-yl ester. Succinic acid, 4,4-dimethylpent-2-yl propyl ester. 4-Methyl-2-pentanol, methyl ether. di-(1,3-Dimethylbutyl)oxalate. Succinic acid, butyl 4,4-dimethylpent-2-yl ester. Heptan-2-yl formate.

Find more compounds similar to Formic acid, 4,4-dimethylpent-2-yl ester.

Sources

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