- InChI
- InChI=1S/C8H16O2/c1-2-3-4-5-6-7-10-8-9/h8H,2-7H2,1H3
- InChI Key
- XEAMDSXSXYAICO-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CCCCCCCOC=O
- Molecular Weight1
- 144.21
- CAS
- 112-23-2
- Other Names
-
- Heptanol, formate
- Heptyl alcohol, formate
- Heptyl formate
- formic acid heptyl ester
- heptyl alcohol formate
- heptyl methanoate
- methanoic acid, heptyl ester
- n-Heptyl formate
- n-Heptyl 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° | -188.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -426.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.53 | kJ/mol | Joback Calculated Property |
| log10WS | -2.03 | Crippen Calculated Property | |
| logPoct/wat | 2.130 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 2687.42 | kPa | Joback Calculated Property |
| Inp | [1012.00; 1039.00] |
|
|
| Inp | 1039.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1039.00 | NIST | |
| I | 1357.00 | NIST | |
| Tboil | [449.90; 471.00] | K |
|
| Tboil | 451.27 | K | KDB |
| Tboil | 471.00 ± 3.00 | K | NIST |
| Tboil | 451.27 ± 0.30 | K | NIST |
| Tboil | 449.90 ± 1.50 | K | NIST |
| Tc | 624.14 | K | Joback Calculated Property |
| Tfus | 244.15 | K | Joback Calculated Property |
| Vc | 0.518 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.88; 346.18] | J/mol×K | [453.52; 624.14] |
|
| Cp,gas | 280.88 | J/mol×K | 453.52 | Joback Calculated Property |
| Cp,gas | 292.78 | J/mol×K | 481.96 | Joback Calculated Property |
| Cp,gas | 304.27 | J/mol×K | 510.39 | Joback Calculated Property |
| Cp,gas | 315.35 | J/mol×K | 538.83 | Joback Calculated Property |
| Cp,gas | 326.02 | J/mol×K | 567.27 | Joback Calculated Property |
| Cp,gas | 336.30 | J/mol×K | 595.71 | Joback Calculated Property |
| Cp,gas | 346.18 | J/mol×K | 624.14 | Joback Calculated Property |
| η | [0.0002738; 0.0037096] | Pa×s | [244.15; 453.52] |
|
| η | 0.0037096 | Pa×s | 244.15 | Joback Calculated Property |
| η | 0.0018311 | Pa×s | 279.05 | Joback Calculated Property |
| η | 0.0010574 | Pa×s | 313.94 | Joback Calculated Property |
| η | 0.0006815 | Pa×s | 348.83 | Joback Calculated Property |
| η | 0.0004758 | Pa×s | 383.73 | Joback Calculated Property |
| η | 0.0003527 | Pa×s | 418.62 | Joback Calculated Property |
| η | 0.0002738 | Pa×s | 453.52 | Joback Calculated Property |
| Pvap | [0.02; 0.44] | kPa | [276.10; 316.40] |
|
| Pvap | 0.02 | kPa | 276.10 | Vapour ... |
| Pvap | 0.02 | kPa | 277.60 | Vapour ... |
| Pvap | 0.03 | kPa | 278.60 | Vapour ... |
| Pvap | 0.03 | kPa | 280.40 | Vapour ... |
| Pvap | 0.04 | kPa | 283.30 | Vapour ... |
| Pvap | 0.06 | kPa | 288.30 | Vapour ... |
| Pvap | 0.09 | kPa | 293.20 | Vapour ... |
| Pvap | 0.09 | kPa | 293.20 | Vapour ... |
| Pvap | 0.09 | kPa | 293.30 | Vapour ... |
| Pvap | 0.13 | kPa | 298.30 | Vapour ... |
| Pvap | 0.13 | kPa | 298.30 | Vapour ... |
| Pvap | 0.18 | kPa | 303.30 | Vapour ... |
| Pvap | 0.26 | kPa | 308.20 | Vapour ... |
| Pvap | 0.32 | kPa | 311.00 | Vapour ... |
| Pvap | 0.35 | kPa | 313.30 | Vapour ... |
| Pvap | 0.44 | kPa | 316.40 | Vapour ... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [341.12; 477.66] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54237e+01 | |||
| Coefficient B | -4.15982e+03 | |||
| Coefficient C | -6.62920e+01 | |||
| Temperature range, min. | 341.12 | |||
| Temperature range, max. | 477.66 | |||
| Pvap | 1.33 | kPa | 341.12 | Calculated Property |
| Pvap | 2.94 | kPa | 356.29 | Calculated Property |
| Pvap | 6.00 | kPa | 371.46 | Calculated Property |
| Pvap | 11.45 | kPa | 386.63 | Calculated Property |
| Pvap | 20.60 | kPa | 401.80 | Calculated Property |
| Pvap | 35.22 | kPa | 416.98 | Calculated Property |
| Pvap | 57.60 | kPa | 432.15 | Calculated Property |
| Pvap | 90.58 | kPa | 447.32 | Calculated Property |
| Pvap | 137.59 | kPa | 462.49 | Calculated Property |
| Pvap | 202.65 | kPa | 477.66 | Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, heptyl ester.
Sources
- 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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