- InChI
- InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-11-9-10/h9H,2-8H2,1H3
- InChI Key
- AVBRYQRTMPHARE-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CCCCCCCCOC=O
- Molecular Weight1
- 158.24
- CAS
- 112-32-3
- Other Names
-
- FORMIC ACID,OCTYL ESTER
- Octyl alcohol, formate
- Octyl formate
- Octyl formiate
- Octyl methanoate
- n-Octyl formate
- n-Octyl methanoate
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (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 |
|---|---|---|---|
| ΔfG° | -179.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -446.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.76 | kJ/mol | Joback Calculated Property |
| log10WS | -2.45 | Crippen Calculated Property | |
| logPoct/wat | 2.520 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2438.65 | kPa | Joback Calculated Property |
| Inp | [1104.00; 1128.00] |
|
|
| Inp | 1112.00 | NIST | |
| Inp | 1128.00 | NIST | |
| Inp | 1104.00 | NIST | |
| Inp | 1110.00 | NIST | |
| Inp | 1109.00 | NIST | |
| Inp | 1117.00 | NIST | |
| Inp | 1117.00 | NIST | |
| Inp | 1128.00 | NIST | |
| I | [1560.00; 1560.00] |
|
|
| I | 1560.00 | NIST | |
| I | 1560.00 | NIST | |
| Tboil | [471.00; 471.95] | K |
|
| Tboil | 471.95 | K | KDB |
| Tboil | 471.00 ± 3.00 | K | NIST |
| Tboil | 471.95 ± 0.30 | K | NIST |
| Tboil | 471.30 ± 1.50 | K | NIST |
| Tc | 645.86 | K | Joback Calculated Property |
| Tfus | [234.05; 234.10] | K |
|
| Tfus | 234.05 | K | KDB |
| Tfus | 234.10 ± 0.50 | K | NIST |
| Vc | 0.575 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [323.77; 394.42] | J/mol×K | [476.40; 645.86] |
|
| Cp,gas | 323.77 | J/mol×K | 476.40 | Joback Calculated Property |
| Cp,gas | 336.68 | J/mol×K | 504.64 | Joback Calculated Property |
| Cp,gas | 349.13 | J/mol×K | 532.89 | Joback Calculated Property |
| Cp,gas | 361.12 | J/mol×K | 561.13 | Joback Calculated Property |
| Cp,gas | 372.67 | J/mol×K | 589.37 | Joback Calculated Property |
| Cp,gas | 383.77 | J/mol×K | 617.62 | Joback Calculated Property |
| Cp,gas | 394.42 | J/mol×K | 645.86 | Joback Calculated Property |
| η | [0.0002592; 0.0037595] | Pa×s | [255.42; 476.40] |
|
| η | 0.0037595 | Pa×s | 255.42 | Joback Calculated Property |
| η | 0.0018180 | Pa×s | 292.25 | Joback Calculated Property |
| η | 0.0010344 | Pa×s | 329.08 | Joback Calculated Property |
| η | 0.0006593 | Pa×s | 365.91 | Joback Calculated Property |
| η | 0.0004563 | Pa×s | 402.74 | Joback Calculated Property |
| η | 0.0003359 | Pa×s | 439.57 | Joback Calculated Property |
| η | 0.0002592 | Pa×s | 476.40 | Joback Calculated Property |
| Pvap | [0.01; 0.66] | kPa | [283.30; 338.30] |
|
| Pvap | 0.01 | kPa | 283.30 | Vapour ... |
| Pvap | 0.02 | kPa | 285.70 | Vapour ... |
| Pvap | 0.02 | kPa | 288.20 | Vapour ... |
| Pvap | 0.02 | kPa | 290.80 | Vapour ... |
| Pvap | 0.03 | kPa | 293.30 | Vapour ... |
| Pvap | 0.04 | kPa | 298.40 | Vapour ... |
| Pvap | 0.06 | kPa | 303.20 | Vapour ... |
| Pvap | 0.06 | kPa | 303.20 | Vapour ... |
| Pvap | 0.09 | kPa | 308.20 | Vapour ... |
| Pvap | 0.14 | kPa | 313.50 | Vapour ... |
| Pvap | 0.19 | kPa | 318.50 | Vapour ... |
| Pvap | 0.27 | kPa | 323.50 | Vapour ... |
| Pvap | 0.37 | kPa | 328.40 | Vapour ... |
| Pvap | 0.43 | kPa | 331.30 | Vapour ... |
| Pvap | 0.49 | kPa | 333.40 | Vapour ... |
| Pvap | 0.55 | kPa | 335.30 | Vapour ... |
| Pvap | 0.66 | kPa | 338.30 | Vapour ... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [358.72; 497.69] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56616e+01 | |||
| Coefficient B | -4.40178e+03 | |||
| Coefficient C | -7.24080e+01 | |||
| Temperature range, min. | 358.72 | |||
| Temperature range, max. | 497.69 | |||
| Pvap | 1.33 | kPa | 358.72 | Calculated Property |
| Pvap | 2.93 | kPa | 374.16 | Calculated Property |
| Pvap | 5.96 | kPa | 389.60 | Calculated Property |
| Pvap | 11.34 | kPa | 405.04 | Calculated Property |
| Pvap | 20.40 | kPa | 420.48 | Calculated Property |
| Pvap | 34.91 | kPa | 435.93 | Calculated Property |
| Pvap | 57.18 | kPa | 451.37 | Calculated Property |
| Pvap | 90.10 | kPa | 466.81 | Calculated Property |
| Pvap | 137.20 | kPa | 482.25 | Calculated Property |
| Pvap | 202.63 | kPa | 497.69 | Calculated Property |
| Pvap | [2.41e-04; 2278.10] | kPa | [234.05; 645.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.89702e+01 | |||
| Coefficient B | -8.58676e+03 | |||
| Coefficient C | -9.33680e+00 | |||
| Coefficient D | 5.95103e-06 | |||
| Temperature range, min. | 234.05 | |||
| Temperature range, max. | 645.00 | |||
| Pvap | 2.41e-04 | kPa | 234.05 | Calculated Property |
| Pvap | 0.02 | kPa | 279.71 | Calculated Property |
| Pvap | 0.45 | kPa | 325.37 | Calculated Property |
| Pvap | 4.09 | kPa | 371.03 | Calculated Property |
| Pvap | 21.62 | kPa | 416.69 | Calculated Property |
| Pvap | 79.59 | kPa | 462.36 | Calculated Property |
| Pvap | 228.26 | kPa | 508.02 | Calculated Property |
| Pvap | 549.66 | kPa | 553.68 | Calculated Property |
| Pvap | 1169.42 | kPa | 599.34 | Calculated Property |
| Pvap | 2278.10 | kPa | 645.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, octyl ester.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Vapour pressures and enthalpies of vaporization of aliphatic esters
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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