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

(1-Methylhexyl)succinic acid, methyl ester

InChI
InChI=1S/C13H24O4/c1-5-6-7-8-10(2)11(13(15)17-4)9-12(14)16-3/h10-11H,5-9H2,1-4H3
InChI Key
FBEAETQIDNMZBP-UHFFFAOYSA-N
Formula
C13H24O4
SMILES
CCCCCC(C)C(CC(=O)OC)C(=O)OC
Molecular Weight1
244.33
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Physical Properties

Property Value Unit Source
ΔfH°gas -905.60 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 31.12 kJ/mol Joback Calculated Property
ΔvapH° 78.56 kJ/mol Relay (1.0) Calculated Property
IE 9.53 eV Relay (1.0) Calculated Property
log10WS -3.20 Relay (1.0) Calculated Property
logPoct/wat 2.555 Crippen Calculated Property
McVol 208.910 ml/mol McGowan Calculated Property
Pc 1679.66 kPa Joback Calculated Property
Inp [1569.00; 1571.00]   Show Hide
Inp 1569.00 NIST
Inp 1571.00 NIST
Tboil 514.62 K Relay (1.0) Calculated Property
Tc 713.66 K Relay (1.0) Calculated Property
Tfus 249.10 K Relay (1.0) Calculated Property

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [313.31; 707.31] 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 A3.85250e+01
Coefficient B1.14108e+00
Coefficient C-5.00600e-04
Coefficient D2.83000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 313.31 J/mol×K 273.00 Calculated Property
Cp,gas 380.81 J/mol×K 353.78 Calculated Property
Cp,gas 442.18 J/mol×K 434.56 Calculated Property
Cp,gas 497.49 J/mol×K 515.33 Calculated Property
Cp,gas 546.84 J/mol×K 596.11 Calculated Property
Cp,gas 590.32 J/mol×K 676.89 Calculated Property
Cp,gas 628.02 J/mol×K 757.67 Calculated Property
Cp,gas 660.02 J/mol×K 838.44 Calculated Property
Cp,gas 686.42 J/mol×K 919.22 Calculated Property
Cp,gas 707.31 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0073078; 0.0001493] Pa×s [290.93; 552.77] 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-1.31325e+01
Coefficient B2.38960e+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.290.93
Temperature range, max.552.77
η 0.0073078 Pa×s 290.93 Calculated Property
η 0.0034633 Pa×s 320.02 Calculated Property
η 0.0018589 Pa×s 349.12 Calculated Property
η 0.0010979 Pa×s 378.21 Calculated Property
η 0.0006992 Pa×s 407.31 Calculated Property
η 0.0004728 Pa×s 436.40 Calculated Property
η 0.0003358 Pa×s 465.49 Calculated Property
η 0.0002483 Pa×s 494.59 Calculated Property
η 0.0001898 Pa×s 523.68 Calculated Property
η 0.0001493 Pa×s 552.77 Calculated Property

Similar Compounds

(1-Methylheptyl)succinic acid, methyl ester. (1-Methylpentyl)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, cis-. 1,2-Cyclohexanedicarboxylic acid, dimethyl ester. 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. Bicyclo[2.2.1]heptane-2-carboxylic acid, methyl ester. endo-Bicyclo[2.2.1]heptan-2-carboxylic acid, methyl ester.

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

Sources

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