Chemical Properties of (1-Methylpentyl)succinic acid, methyl ester

(1-Methylpentyl)succinic acid, methyl ester

InChI
InChI=1S/C12H22O4/c1-5-6-7-9(2)10(12(14)16-4)8-11(13)15-3/h9-10H,5-8H2,1-4H3
InChI Key
NYGNRXFWKLHQRU-UHFFFAOYSA-N
Formula
C12H22O4
SMILES
CCCCC(C)C(CC(=O)OC)C(=O)OC
Molecular Weight1
230.30
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Physical Properties

Property Value Unit Source
ΔfH°gas -887.55 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 28.53 kJ/mol Joback Calculated Property
ΔvapH° 74.82 kJ/mol Relay (1.0) Calculated Property
IE 9.64 eV Relay (1.0) Calculated Property
log10WS -2.80 Relay (1.0) Calculated Property
logPoct/wat 2.165 Crippen Calculated Property
McVol 194.820 ml/mol McGowan Calculated Property
Pc 1820.06 kPa Joback Calculated Property
Inp [1475.00; 1478.00]   Show Hide
Inp 1475.00 NIST
Inp 1478.00 NIST
Tboil 501.72 K Relay (1.0) Calculated Property
Tc 700.83 K Relay (1.0) Calculated Property
Tfus 242.58 K Relay (1.0) Calculated Property

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [292.09; 655.71] 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 A3.94340e+01
Coefficient B1.04608e+00
Coefficient C-4.46200e-04
Coefficient D1.64000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 292.09 J/mol×K 273.00 Calculated Property
Cp,gas 354.39 J/mol×K 353.78 Calculated Property
Cp,gas 411.10 J/mol×K 434.56 Calculated Property
Cp,gas 462.26 J/mol×K 515.33 Calculated Property
Cp,gas 507.93 J/mol×K 596.11 Calculated Property
Cp,gas 548.16 J/mol×K 676.89 Calculated Property
Cp,gas 583.00 J/mol×K 757.67 Calculated Property
Cp,gas 612.51 J/mol×K 838.44 Calculated Property
Cp,gas 636.73 J/mol×K 919.22 Calculated Property
Cp,gas 655.71 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0083572; 0.0001627] Pa×s [279.66; 537.68] 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-1.29926e+01
Coefficient B2.29544e+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.279.66
Temperature range, max.537.68
η 0.0083572 Pa×s 279.66 Calculated Property
η 0.0038959 Pa×s 308.33 Calculated Property
η 0.0020680 Pa×s 337.00 Calculated Property
η 0.0012123 Pa×s 365.67 Calculated Property
η 0.0007681 Pa×s 394.34 Calculated Property
η 0.0005177 Pa×s 423.01 Calculated Property
η 0.0003669 Pa×s 451.68 Calculated Property
η 0.0002709 Pa×s 480.35 Calculated Property
η 0.0002070 Pa×s 509.02 Calculated Property
η 0.0001627 Pa×s 537.68 Calculated Property

Similar Compounds

(1-Methylheptyl)succinic acid, methyl ester. (1-Methylhexyl)succinic acid, methyl ester. (1-Methylbutyl)succinic acid, methyl ester. (1-Methylpropyl)succinic acid, methyl ester. Cyclopentylsuccinic acid, methyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-methyl, dimethyl ester. 1,2-Cyclohexanedicarboxylic acid, dimethyl ester. 1,2-Cyclohexanedicarboxylic acid, dimethyl ester, cis-. Cyclohexaneacetic acid, α-ethyl-, methyl ester. 1,2-CYCLOPENTANEDICARBOXYLIC ACID, DIMETHYL ESTER. Trimethyl isocitrate. Hexadecanoic acid, 2,3,4-trimethyl-, methyl ester. 1,2-Cyclohexanedicarboxylic acid, ethyl methyl ester. endo-Bicyclo[2.2.1]heptan-2-carboxylic acid, methyl ester. Bicyclo[2.2.1]heptane-2-carboxylic acid, methyl ester.

Find more compounds similar to (1-Methylpentyl)succinic acid, methyl ester.

Sources

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