- InChI
- InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
- InChI Key
- TYFQFVWCELRYAO-UHFFFAOYSA-N
- Formula
- C8H14O4
- SMILES
- O=C(O)CCCCCCC(=O)O
- Molecular Weight1
- 174.20
- CAS
- 505-48-6
- Other Names
-
- 1,6-Dicarboxyhexane
- 1,6-hexanedicarboxylic acid
- 1,8-octanedioic acid
- Cork acid
- Hexamethylenedicarboxylic acid
- Octane-1,8-dioic acid
- suberic acid
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.9213 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -4110.90 ± 1.30 | kJ/mol | NIST |
| ΔfG° | -671.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -885.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | [2.00; 30.52] | kJ/mol |
|
| ΔfusH° | 2.00 | kJ/mol | Vaporization, fusion and sublimation enthalpies of the dicarboxylic acids from C4 to C14 and C16 |
| ΔfusH° | 30.52 | kJ/mol | Solid Liquid Equilibria for Six Binary Mixtures of Pentanedioic Acid, Octanedioic Acid, 3-Methylheptanedioic Acid, 2,2-Dimethylbutanedioic Acid, and 2,3-Dimethylbutanedioic Acid |
| ΔsubH° | [143.00; 147.80] | kJ/mol |
|
| ΔsubH° | 147.80 ± 3.80 | kJ/mol | NIST |
| ΔsubH° | 143.00 ± 4.00 | kJ/mol | NIST |
| ΔvapH° | 116.70 ± 0.80 | kJ/mol | NIST |
| IE | 9.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.96 | Aq. Solubility Prediction | |
| logPoct/wat | 1.496 | Crippen Calculated Property | |
| McVol | 138.460 | ml/mol | McGowan Calculated Property |
| Pc | 2970.00 | kPa | Critical Temperatures and Pressures of Straight-Chain Saturated Dicarboxylic Acids (C4 to C14) |
| Tboil | 545.30 | K | Relay (1.0) Calculated Property |
| Tc | 764.22 | K | Relay (1.0) Calculated Property |
| Tfus | [410.00; 417.00] | K |
|
| Tfus | 416.65 | K | Aq. Solubility Prediction |
| Tfus | 415.50 ± 0.40 | K | NIST |
| Tfus | 415.50 ± 0.30 | K | NIST |
| Tfus | 417.00 ± 1.50 | K | NIST |
| Tfus | 415.50 ± 0.50 | K | NIST |
| Tfus | 413.00 ± 4.00 | K | NIST |
| Tfus | Outlier 410.00 ± 3.00 | K | NIST |
| Vc | 0.532 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [378.01; 429.10] | J/mol×K | [673.66; 872.25] |
|
| Cp,gas | 378.01 | J/mol×K | 673.66 | Joback Calculated Property |
| Cp,gas | 387.84 | J/mol×K | 706.76 | Joback Calculated Property |
| Cp,gas | 397.11 | J/mol×K | 739.86 | Joback Calculated Property |
| Cp,gas | 405.84 | J/mol×K | 772.95 | Joback Calculated Property |
| Cp,gas | 414.06 | J/mol×K | 806.05 | Joback Calculated Property |
| Cp,gas | 421.80 | J/mol×K | 839.15 | Joback Calculated Property |
| Cp,gas | 429.10 | J/mol×K | 872.25 | Joback Calculated Property |
| η | [0.0001975; 0.0007464] | Pa×s | [501.12; 673.66] |
|
| η | 0.0007464 | Pa×s | 501.12 | Joback Calculated Property |
| η | 0.0005631 | Pa×s | 529.88 | Joback Calculated Property |
| η | 0.0004374 | Pa×s | 558.63 | Joback Calculated Property |
| η | 0.0003482 | Pa×s | 587.39 | Joback Calculated Property |
| η | 0.0002832 | Pa×s | 616.15 | Joback Calculated Property |
| η | 0.0002346 | Pa×s | 644.90 | Joback Calculated Property |
| η | 0.0001975 | Pa×s | 673.66 | Joback Calculated Property |
| ΔfusH | [28.82; 30.70] | kJ/mol | [413.20; 415.30] |
|
| ΔfusH | 30.70 | kJ/mol | 413.20 | NIST |
| ΔfusH | 28.82 | kJ/mol | 415.30 | NIST |
| ΔfusH | 28.82 | kJ/mol | 415.30 | NIST |
| ΔsubH | [143.10; 168.00] | kJ/mol | [315.00; 393.00] |
|
| ΔsubH | 148.00 | kJ/mol | 315.00 | NIST |
| ΔsubH | 168.00 ± 7.00 | kJ/mol | 363.00 | NIST |
| ΔsubH | 143.10 ± 3.80 | kJ/mol | 393.00 | NIST |
| ΔsubH | 143.10 ± 3.80 | kJ/mol | 393.00 | NIST |
| ΔvapH | 91.40 | kJ/mol | 532.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 503.20 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [493.40; 646.40] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.77470e+01 | |||
| Coefficient B | -6.61200e+03 | |||
| Coefficient C | -1.14691e+02 | |||
| Temperature range, min. | 493.40 | |||
| Temperature range, max. | 646.40 | |||
| Pvap | 1.33 | kPa | 493.40 | Calculated Property |
| Pvap | 2.82 | kPa | 510.40 | Calculated Property |
| Pvap | 5.62 | kPa | 527.40 | Calculated Property |
| Pvap | 10.59 | kPa | 544.40 | Calculated Property |
| Pvap | 19.02 | kPa | 561.40 | Calculated Property |
| Pvap | 32.72 | kPa | 578.40 | Calculated Property |
| Pvap | 54.18 | kPa | 595.40 | Calculated Property |
| Pvap | 86.67 | kPa | 612.40 | Calculated Property |
| Pvap | 134.40 | kPa | 629.40 | Calculated Property |
| Pvap | 202.67 | kPa | 646.40 | Calculated Property |
| Pvap | [2.20e-04; 110.52] | kPa | [379.15; 619.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.35392e+03 | |||
| Coefficient B | -8.05167e+04 | |||
| Coefficient C | -1.96409e+02 | |||
| Coefficient D | 1.13237e-04 | |||
| Temperature range, min. | 379.15 | |||
| Temperature range, max. | 619.15 | |||
| Pvap | 2.20e-04 | kPa | 379.15 | Calculated Property |
| Pvap | 4.32e-03 | kPa | 405.82 | Calculated Property |
| Pvap | 0.04 | kPa | 432.48 | Calculated Property |
| Pvap | 0.24 | kPa | 459.15 | Calculated Property |
| Pvap | 0.96 | kPa | 485.82 | Calculated Property |
| Pvap | 3.02 | kPa | 512.48 | Calculated Property |
| Pvap | 8.09 | kPa | 539.15 | Calculated Property |
| Pvap | 19.75 | kPa | 565.82 | Calculated Property |
| Pvap | 46.54 | kPa | 592.48 | Calculated Property |
| Pvap | 110.52 | kPa | 619.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Octanedioic acid.
Mixtures
- Octanedioic acid + Ethanol
- Octanedioic acid + Acetic acid
- Octanedioic acid + Acetone
- Octanedioic acid + Ethyl Acetate
- Octanedioic acid + Methyl Alcohol
- 1-Propanol + Octanedioic acid
- Octanedioic acid + Water
- Octanedioic acid + Tetrahydrofuran
- Octanedioic acid + 2-Propanol
- Octanedioic acid + Pentanedioic acid
- Octanedioic acid + 2,2-Dimethylbutanedioic acid
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Determination of the solubility, dissolution enthalpy and entropy of suberic acid in different solvents
- Vaporization, fusion and sublimation enthalpies of the dicarboxylic acids from C4 to C14 and C16
- An odd-even effect on solubility of dicarboxylic acids in organic solvents
- Critical Temperatures and Pressures of Straight-Chain Saturated Dicarboxylic Acids (C4 to C14)
- Solid Liquid Equilibria for Six Binary Mixtures of Pentanedioic Acid, Octanedioic Acid, 3-Methylheptanedioic Acid, 2,2-Dimethylbutanedioic Acid, and 2,3-Dimethylbutanedioic Acid
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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