Chemical Properties of Hexanedioic acid (CAS 124-04-9)

Hexanedioic acid

InChI
InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChI Key
WNLRTRBMVRJNCN-UHFFFAOYSA-N
Formula
C6H10O4
SMILES
O=C(O)CCCCC(=O)O
Molecular Weight1
146.14
CAS
124-04-9
Other Names
  • 1,4-butanedicarboxylic acid
  • 1,6-hexanedioic acid
  • Adi-pure
  • Adipinic acid
  • Hexanedioc acid
  • Kyselina adipova
  • NSC 7622
  • acifloctin
  • acinetten
  • adilactetten
  • adipic acid
  • asapic
  • inipol DS
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Physical Properties

Property Value Unit Source
ω 1.0507 ChemSep v8.3 pure component data Compiled value
ΔcH°solid [-2802.40; -2768.70] kJ/mol Show Hide
ΔcH°solid -2768.70 ± 5.90 kJ/mol NIST
ΔcH°solid -2791.98 ± 0.42 kJ/mol NIST
ΔcH°solid -2795.90 ± 0.75 kJ/mol NIST
ΔcH°solid -2802.40 ± 1.40 kJ/mol NIST
μ 2.32 debye ChemSep v8.3 pure component data Compiled value
ΔfG° -682.00 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas -865.00 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°solid [-1021.32; -998.22] kJ/mol Show Hide
ΔfH°solid -1021.32 kJ/mol NIST
ΔfH°solid -998.22 ± 0.42 kJ/mol NIST
ΔfusH° [33.70; 38.00] kJ/mol Show Hide
ΔfusH° 33.70 kJ/mol Vaporization, fusion and sublimation enthalpies of the dicarboxylic acids from C4 to C14 and C16
ΔfusH° 38.00 kJ/mol Thermal analysis of phase change materials in the temperature range 120.150 .C
ΔsubH° [129.00; 133.60] kJ/mol Show Hide
ΔsubH° 133.60 ± 1.30 kJ/mol NIST
ΔsubH° 129.00 ± 1.00 kJ/mol NIST
ΔvapH° 105.20 kJ/mol NIST
IE 10.18 eV Relay (1.0) Calculated Property
log10WS -0.82 Aq. Solubility Prediction
logPoct/wat 0.716 Crippen Calculated Property
McVol 110.280 ml/mol McGowan Calculated Property
NFPA Fire 1 KDB
Pc [3530.00; 3850.00] kPa Show Hide
Pc 3850.00 kPa Critical Temperatures and Pressures of Straight-Chain Saturated Dicarboxylic Acids (C4 to C14)
Pc 3530.00 kPa ChemSep v8.3 pure component data Compiled value
Ptriple 0.08 kPa ChemSep v8.3 pure component data Compiled value
Inp [1372.40; 1372.40]   Show Hide
Inp 1372.40 NIST
Inp 1372.40 NIST
Ip 2137.00 NIST
Tboil 611.00 K ChemSep v8.3 pure component data Compiled value
Tc 809.00 K ChemSep v8.3 pure component data Compiled value
Tfus [422.00; 430.00] K Show Hide
Tfus 425.50 K Solubilities of Adipic Acid in Cyclohexanol + Cyclohexanone Mixtures and Cyclohexanone + Cyclohexane Mixtures
Tfus 424.26 K Determination and Thermodynamic Modeling of Solid-Liquid Phase Equilibrium for Succinic Acid in the Glutaric Acid + Adipic Acid + Ethyl Acetate Mixture and Adipic Acid in the Succinic Acid + Glutaric Acid + Ethyl Acetate Mixture
Tfus 425.15 K Solubilities of Adipic Acid and Succinic Acid in Glutaric Acid + Acetone or n-butanol Mixture
Tfus 426.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 426.15 K ChemSep v8.3 pure component data Compiled value
Tfus 425.95 K Aq. Solubility Prediction
Tfus 426.07 ± 0.20 K NIST
Tfus 425.50 ± 0.30 K NIST
Tfus 425.50 ± 0.30 K NIST
Tfus 425.50 ± 0.30 K NIST
Tfus 425.50 ± 0.40 K NIST
Tfus 425.50 ± 0.30 K NIST
Tfus 426.00 ± 1.50 K NIST
Tfus 425.50 ± 0.50 K NIST
Tfus Outlier 422.00 ± 8.00 K NIST
Tfus 422.40 ± 1.00 K NIST
Tfus Outlier 430.00 ± 2.00 K NIST
Tfus 424.00 ± 1.50 K NIST
Ttriple [424.70; 425.50] K Show Hide
Ttriple 425.50 K ChemSep v8.3 pure component data Compiled value
Ttriple 424.70 ± 0.30 K NIST
Ttriple 424.70 ± 0.30 K NIST
UQi 4.61 ChemSep v8.3 pure component data Compiled value
URi 5.30 ChemSep v8.3 pure component data Compiled value
Vc 0.400 m3/kmol ChemSep v8.3 pure component data Compiled value
Zc 0.2100000 ChemSep v8.3 pure component data Compiled value
Zra 0.23 ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH [33.70; 34.85] kJ/mol [419.00; 426.40] Show Hide
ΔfusH 33.70 kJ/mol 419.00 NIST
ΔfusH 34.85 kJ/mol 425.50 NIST
ΔfusH 34.85 kJ/mol 426.40 NIST
ΔfusH 34.85 kJ/mol 426.40 NIST
ΔsubH [125.00; 146.20] kJ/mol [296.00; 382.50] Show Hide
ΔsubH 146.20 kJ/mol 296.00 NIST
ΔsubH 140.00 kJ/mol 306.50 NIST
ΔsubH 145.00 ± 4.00 kJ/mol 348.00 NIST
ΔsubH 125.00 ± 20.00 kJ/mol 363.00 NIST
ΔsubH 129.30 ± 2.50 kJ/mol 382.50 NIST
ΔsubH 129.30 ± 2.50 kJ/mol 382.50 NIST
ΔvapH 92.00 kJ/mol 521.50 NIST
ΔfusS 81.92 J/mol×K 425.50 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 538.20 K 13.30 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [162.89; 381.29] J/mol×K [273.00; 1500.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,gas in J/mol×K, T in K
Coefficient A8.54740e+01
Coefficient B-4.23410e+02
Coefficient C5.83724e+00
Coefficient D2.61780e-04
Coefficient E-1.14620e-07
Temperature range, min.273.00
Temperature range, max.1500.00
Cp,gas 162.89 J/mol×K 273.00 Calculated Property
Cp,gas 218.53 J/mol×K 409.33 Calculated Property
Cp,gas 261.39 J/mol×K 545.67 Calculated Property
Cp,gas 294.33 J/mol×K 682.00 Calculated Property
Cp,gas 319.94 J/mol×K 818.33 Calculated Property
Cp,gas 339.94 J/mol×K 954.67 Calculated Property
Cp,gas 355.45 J/mol×K 1091.00 Calculated Property
Cp,gas 367.19 J/mol×K 1227.33 Calculated Property
Cp,gas 375.68 J/mol×K 1363.67 Calculated Property
Cp,gas 381.29 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [365.18; 402.80] J/mol×K [425.50; 611.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,liquid in J/mol×K, T in K
Coefficient A2.35940e+02
Coefficient B-3.29970e+01
Coefficient C3.90124e+00
Coefficient D3.26720e-03
Coefficient E-1.94560e-06
Temperature range, min.425.50
Temperature range, max.611.00
Cp,liquid 365.18 J/mol×K 425.50 Calculated Property
Cp,liquid 369.91 J/mol×K 446.11 Calculated Property
Cp,liquid 374.54 J/mol×K 466.72 Calculated Property
Cp,liquid 379.06 J/mol×K 487.33 Calculated Property
Cp,liquid 383.44 J/mol×K 507.94 Calculated Property
Cp,liquid 387.68 J/mol×K 528.56 Calculated Property
Cp,liquid 391.75 J/mol×K 549.17 Calculated Property
Cp,liquid 395.64 J/mol×K 569.78 Calculated Property
Cp,liquid 399.33 J/mol×K 590.39 Calculated Property
Cp,liquid 402.80 J/mol×K 611.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0045408; 0.0026405] Pa×s [433.15; 466.15] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-8.47380e+00
Coefficient B3.09320e+03
Coefficient C-6.83190e-01
Coefficient D4.56680e-07
Coefficient E2.00000e+00
Temperature range, min.433.15
Temperature range, max.466.15
η 0.0045408 Pa×s 433.15 Calculated Property
η 0.0042583 Pa×s 436.82 Calculated Property
η 0.0039975 Pa×s 440.48 Calculated Property
η 0.0037566 Pa×s 444.15 Calculated Property
η 0.0035338 Pa×s 447.82 Calculated Property
η 0.0033275 Pa×s 451.48 Calculated Property
η 0.0031362 Pa×s 455.15 Calculated Property
η 0.0029587 Pa×s 458.82 Calculated Property
η 0.0027938 Pa×s 462.48 Calculated Property
η 0.0026405 Pa×s 466.15 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [93.05; 0.00] kJ/mol [425.50; 809.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc
Y is ΔvapH in kJ/mol, T in K
Coefficient A1.94925e+02
Coefficient B8.23008e-01
Coefficient C2.51816e+00
Coefficient D-5.64633e+00
Coefficient E2.78457e+00
Critical temperature, Tc (K)8.09000e+02
Temperature range, min.425.50
Temperature range, max.809.00
ΔvapH 93.05 kJ/mol 425.50 Calculated Property
ΔvapH 87.33 kJ/mol 468.11 Calculated Property
ΔvapH 82.39 kJ/mol 510.72 Calculated Property
ΔvapH 78.02 kJ/mol 553.33 Calculated Property
ΔvapH 73.88 kJ/mol 595.94 Calculated Property
ΔvapH 69.50 kJ/mol 638.56 Calculated Property
ΔvapH 64.13 kJ/mol 681.17 Calculated Property
ΔvapH 56.47 kJ/mol 723.78 Calculated Property
ΔvapH 43.61 kJ/mol 766.39 Calculated Property
ΔvapH 0.00 kJ/mol 809.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [479.40; 639.57] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.76921e+01
Coefficient B-6.86994e+03
Coefficient C-8.46730e+01
Temperature range, min.479.40
Temperature range, max.639.57
Pvap 1.33 kPa 479.40 Calculated Property
Pvap 2.83 kPa 497.20 Calculated Property
Pvap 5.63 kPa 514.99 Calculated Property
Pvap 10.61 kPa 532.79 Calculated Property
Pvap 19.05 kPa 550.59 Calculated Property
Pvap 32.77 kPa 568.38 Calculated Property
Pvap 54.24 kPa 586.18 Calculated Property
Pvap 86.74 kPa 603.98 Calculated Property
Pvap 134.46 kPa 621.77 Calculated Property
Pvap 202.66 kPa 639.57 Calculated Property
Pvap [0.08; 3530.00] kPa [425.50; 785.68] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is Pvap in kPa, T in K
Coefficient A2.48316e+02
Coefficient B-2.32339e+04
Coefficient C-3.28308e+01
Coefficient D1.34350e-05
Coefficient E2.00000e+00
CommentRange stopped where the equation exceeds Pc; ChemSep gives it to 809 K.
Temperature range, min.425.50
Temperature range, max.785.68
Pvap 0.08 kPa 425.50 Calculated Property
Pvap 0.69 kPa 465.52 Calculated Property
Pvap 4.05 kPa 505.54 Calculated Property
Pvap 17.01 kPa 545.56 Calculated Property
Pvap 56.16 kPa 585.58 Calculated Property
Pvap 155.57 kPa 625.60 Calculated Property
Pvap 379.37 kPa 665.62 Calculated Property
Pvap 844.36 kPa 705.64 Calculated Property
Pvap 1763.33 kPa 745.66 Calculated Property
Pvap 3530.00 kPa 785.68 Calculated Property
Pvap [0.08; 102.59] kPa [425.50; 611.15] KDB Vapor Pressure Data Show Hide
Equationln(Y) = A + B/T + C·ln(T) + D·T² + E/T²
Y is Pvap in kPa, T in K
Coefficient A1.33029e+02
Coefficient B-1.71566e+04
Coefficient C-1.58264e+01
Coefficient D3.22958e-06
Coefficient E0.00000e+00
Temperature range, min.425.50
Temperature range, max.611.15
Pvap 0.08 kPa 425.50 Calculated Property
Pvap 0.26 kPa 446.13 Calculated Property
Pvap 0.75 kPa 466.76 Calculated Property
Pvap 1.90 kPa 487.38 Calculated Property
Pvap 4.41 kPa 508.01 Calculated Property
Pvap 9.40 kPa 528.64 Calculated Property
Pvap 18.65 kPa 549.27 Calculated Property
Pvap 34.72 kPa 569.89 Calculated Property
Pvap 61.16 kPa 590.52 Calculated Property
Pvap 102.59 kPa 611.15 Calculated Property
Pvap [0.13; 101.89] kPa [432.70; 610.70] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.72074e+01
Coefficient B-6.47732e+03
Coefficient C-9.59510e+01
ReferenceStull, 1947
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.432.70
Temperature range, max.610.70
Pvap 0.13 kPa 432.70 Calculated Property
Pvap 0.38 kPa 452.48 Calculated Property
Pvap 0.99 kPa 472.26 Calculated Property
Pvap 2.35 kPa 492.03 Calculated Property
Pvap 5.11 kPa 511.81 Calculated Property
Pvap 10.37 kPa 531.59 Calculated Property
Pvap 19.78 kPa 551.37 Calculated Property
Pvap 35.75 kPa 571.14 Calculated Property
Pvap 61.63 kPa 590.92 Calculated Property
Pvap 101.89 kPa 610.70 Calculated Property
Property Value Unit Temperature (K) Source
ρl [1090.99; 365.36] kg/m3 [425.50; 809.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A / B^(1 + (1 − T/C)^D)
Y is ρl in kg/m3, T in K
Coefficient A9.46951e+01
Coefficient B2.59180e-01
Coefficient C8.09000e+02
Coefficient D2.81980e-01
Temperature range, min.425.50
Temperature range, max.809.00
ρl 1090.99 kg/m3 425.50 Calculated Property
ρl 1052.69 kg/m3 468.11 Calculated Property
ρl 1012.32 kg/m3 510.72 Calculated Property
ρl 969.37 kg/m3 553.33 Calculated Property
ρl 923.11 kg/m3 595.94 Calculated Property
ρl 872.39 kg/m3 638.56 Calculated Property
ρl 815.19 kg/m3 681.17 Calculated Property
ρl 747.48 kg/m3 723.78 Calculated Property
ρl 658.28 kg/m3 766.39 Calculated Property
ρl 365.36 kg/m3 809.00 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.02; 6.44e-06] N/m [425.50; 806.70] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is γ in N/m, T in K
Coefficient A-1.82660e-02
Coefficient B1.23310e+02
Coefficient C-3.41480e+00
Coefficient D5.01630e-04
Coefficient E-1.75960e-06
CommentRange stopped where the equation turns negative; ChemSep gives it to 809 K.
Temperature range, min.425.50
Temperature range, max.806.70
γ 0.02 N/m 425.50 Calculated Property
γ 0.02 N/m 467.86 Calculated Property
γ 0.02 N/m 510.21 Calculated Property
γ 0.01 N/m 552.57 Calculated Property
γ 0.01 N/m 594.92 Calculated Property
γ 0.01 N/m 637.28 Calculated Property
γ 0.01 N/m 679.63 Calculated Property
γ 0.00 N/m 721.99 Calculated Property
γ 0.00 N/m 764.34 Calculated Property
γ 6.44e-06 N/m 806.70 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.01; 0.05] W/m×K [274.00; 1000.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·T^B / (1 + C/T + D/T²)
Y is λgas in W/m×K, T in K
Coefficient A1.98460e-04
Coefficient B8.77120e-01
Coefficient C5.20450e+02
Coefficient D6.20130e+04
Temperature range, min.274.00
Temperature range, max.1000.00
λgas 0.01 W/m×K 274.00 Calculated Property
λgas 0.01 W/m×K 354.67 Calculated Property
λgas 0.02 W/m×K 435.33 Calculated Property
λgas 0.02 W/m×K 516.00 Calculated Property
λgas 0.03 W/m×K 596.67 Calculated Property
λgas 0.03 W/m×K 677.33 Calculated Property
λgas 0.04 W/m×K 758.00 Calculated Property
λgas 0.04 W/m×K 838.67 Calculated Property
λgas 0.05 W/m×K 919.33 Calculated Property
λgas 0.05 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.20; 0.11] W/m×K [242.70; 642.70] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is λliquid in W/m×K, T in K
Coefficient A-1.51380e-01
Coefficient B3.17230e+01
Coefficient C-1.14170e+00
Coefficient D7.24020e-05
Coefficient E-7.24670e-07
Temperature range, min.242.70
Temperature range, max.642.70
λliquid 0.20 W/m×K 242.70 Calculated Property
λliquid 0.19 W/m×K 287.14 Calculated Property
λliquid 0.18 W/m×K 331.59 Calculated Property
λliquid 0.17 W/m×K 376.03 Calculated Property
λliquid 0.16 W/m×K 420.48 Calculated Property
λliquid 0.15 W/m×K 464.92 Calculated Property
λliquid 0.14 W/m×K 509.37 Calculated Property
λliquid 0.13 W/m×K 553.81 Calculated Property
λliquid 0.12 W/m×K 598.26 Calculated Property
λliquid 0.11 W/m×K 642.70 Calculated Property

Similar Compounds

Heptanedioic acid. Dodecanedioic acid. Nonanedioic acid. PENTADECANEDIOC ACID. Eicosanedioic acid. Undecanedioic acid. Octadecanedioic acid. 1,11-Undecanedioic acid. Hexadecanedioic acid. Octanedioic acid. Decanedioic acid. Tetradecanedioic acid. Hexanoic acid. Heptanoic acid. Nonadecanoic acid.

Find more compounds similar to Hexanedioic acid.

Mixtures

Find more mixtures with Hexanedioic acid.

Sources

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