Chemical Properties of 1,4-Heptadien-3-ol, 3-methyl-6-(4-methylphenyl)

1,4-Heptadien-3-ol, 3-methyl-6-(4-methylphenyl)

InChI
InChI=1S/C15H20O/c1-5-15(4,16)11-10-13(3)14-8-6-12(2)7-9-14/h5-11,13,16H,1H2,2-4H3/b11-10-
InChI Key
PWPWYHFOHOPRRH-ZHACJKMWSA-N
Formula
C15H20O
SMILES
C=CC(C)(O)/C=C/C(C)c1ccc(C)cc1
Molecular Weight1
216.32
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 20.33 kJ/mol Joback Calculated Property
logPoct/wat 3.592 Crippen Calculated Property
McVol 195.720 ml/mol McGowan Calculated Property
Inp [1510.00; 1510.00]   Show Hide
Inp 1510.00 NIST
Inp 1510.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [255.90; 633.21] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-6.83900e+01
Coefficient B1.45616e+00
Coefficient C-1.06846e-03
Coefficient D3.13900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 255.90 J/mol×K 273.00 Calculated Property
Cp,gas 326.94 J/mol×K 353.78 Calculated Property
Cp,gas 388.38 J/mol×K 434.56 Calculated Property
Cp,gas 441.23 J/mol×K 515.33 Calculated Property
Cp,gas 486.46 J/mol×K 596.11 Calculated Property
Cp,gas 525.07 J/mol×K 676.89 Calculated Property
Cp,gas 558.06 J/mol×K 757.67 Calculated Property
Cp,gas 586.42 J/mol×K 838.44 Calculated Property
Cp,gas 611.14 J/mol×K 919.22 Calculated Property
Cp,gas 633.21 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0058689; 0.0000523] Pa×s [339.15; 608.87] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.57942e+01
Coefficient B3.61403e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.339.15
Temperature range, max.608.87
η 0.0058689 Pa×s 339.15 Calculated Property
η 0.0024707 Pa×s 369.12 Calculated Property
η 0.0011845 Pa×s 399.09 Calculated Property
η 0.0006292 Pa×s 429.06 Calculated Property
η 0.0003631 Pa×s 459.02 Calculated Property
η 0.0002241 Pa×s 488.99 Calculated Property
η 0.0001462 Pa×s 518.96 Calculated Property
η 0.0001000 Pa×s 548.93 Calculated Property
η 0.0000711 Pa×s 578.90 Calculated Property
η 0.0000523 Pa×s 608.87 Calculated Property

Similar Compounds

«gamma»-Calacorene. (Z)-Calacorene. «delta»-Calacorene. Benzo[rst]pentaphene-5,8-dione. 1(6)-Tetrahydrocannabinol. Dronabinol. Tetrahydrocannabinol, TMS. Poligodial + m-Tyr (ethyl ester) adduct (R,S). Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. claritine. Nadolol tri-TMS derivative. Azatadine M (OH-aryl), acetylated. Cannabidiol, allyl-DMS. famotidine.

Find more compounds similar to 1,4-Heptadien-3-ol, 3-methyl-6-(4-methylphenyl).

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.