- InChI
- InChI=1S/C30H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h2-29H2,1H3,(H,31,32)
- InChI Key
- VHOCUJPBKOZGJD-UHFFFAOYSA-N
- Formula
- C30H60O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
(=O)O - Molecular Weight1
- 452.80
- CAS
- 506-50-3
- Other Names
-
- 1-Triacontanoic acid
- Melissic acid
- Melissic acid,synthetic
- n-Triacontanoic acid
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 1.5295 | Relay (1.0) Calculated Property | |
| ΔfG° | -142.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1020.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 83.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 179.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.014 | Crippen Calculated Property | |
| McVol | 441.000 | ml/mol | McGowan Calculated Property |
| Pc | 622.20 | kPa | Joback Calculated Property |
| Tboil | 677.42 | K | Relay (1.0) Calculated Property |
| Tc | 882.70 | K | Relay (1.0) Calculated Property |
| Tfus | 368.05 | K | Relay (1.0) Calculated Property |
| Vc | 1.737 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.52; 1577.84] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.97820e+01 | |||
| Coefficient B | 2.90462e+00 | |||
| Coefficient C | -1.68080e-03 | |||
| Coefficient D | 3.73800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 655.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 813.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 955.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1081.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1193.61 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1292.15 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1378.66 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1454.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1520.32 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1577.84 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002434; 0.0000238] | Pa×s | [588.46; 905.70] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.49555e+01 | |||
| Coefficient B | 3.90418e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 588.46 | |||
| Temperature range, max. | 905.70 | |||
| η | 0.0002434 | Pa×s | 588.46 | Calculated Property |
| η | 0.0001673 | Pa×s | 623.71 | Calculated Property |
| η | 0.0001197 | Pa×s | 658.96 | Calculated Property |
| η | 0.0000886 | Pa×s | 694.21 | Calculated Property |
| η | 0.0000675 | Pa×s | 729.46 | Calculated Property |
| η | 0.0000527 | Pa×s | 764.71 | Calculated Property |
| η | 0.0000421 | Pa×s | 799.95 | Calculated Property |
| η | 0.0000343 | Pa×s | 835.20 | Calculated Property |
| η | 0.0000284 | Pa×s | 870.45 | Calculated Property |
| η | 0.0000238 | Pa×s | 905.70 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [666.92; 774.36] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.81198e+01 | |||
| Coefficient B | -1.35755e+04 | |||
| Coefficient C | -1.79160e+02 | |||
| Temperature range, min. | 666.92 | |||
| Temperature range, max. | 774.36 | |||
| Pvap | 1.33 | kPa | 666.92 | Calculated Property |
| Pvap | 2.59 | kPa | 678.86 | Calculated Property |
| Pvap | 4.89 | kPa | 690.80 | Calculated Property |
| Pvap | 8.95 | kPa | 702.73 | Calculated Property |
| Pvap | 15.95 | kPa | 714.67 | Calculated Property |
| Pvap | 27.72 | kPa | 726.61 | Calculated Property |
| Pvap | 47.06 | kPa | 738.55 | Calculated Property |
| Pvap | 78.14 | kPa | 750.48 | Calculated Property |
| Pvap | 127.08 | kPa | 762.42 | Calculated Property |
| Pvap | 202.67 | kPa | 774.36 | Calculated Property |
Similar Compounds
Find more compounds similar to Triacontanoic acid.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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