Chemical Properties of Schkuhrianol

InChI

InChI=1S/C29H50O6/c1-5-6-7-11-15-23(2)16-12-9-8-10-13-18-25(30)22-28(32)35-19-14-17-24-20-26(31)29(34-4)27(21-24)33-3/h20-21,23,25,30-31H,5-19,22H2,1-4H3

InChI Key

YVAXZNKKSLAKDG-UHFFFAOYSA-N

Formula

C29H50O6

SMILES

CCCCCCC(C)CCCCCCCC(O)CC(=O)OCCCc1cc(O)c(OC)c(OC)c1

Molecular Weight¹

494.71

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	73.70	kJ/mol	Joback Calculated Property
logPoct/wat	6.973		Crippen Calculated Property
McVol	426.630	ml/mol	McGowan Calculated Property
Inp	[3680.90; 3680.90]
Inp	3680.90		NIST
Inp	3680.90		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	[644.43; 1478.14]	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			4.06360e+01
Coefficient B			2.58018e+00
Coefficient C			-1.42748e-03
Coefficient D			2.84800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	644.43	J/mol×K	273.00	Calculated Property
Cp,gas	787.40	J/mol×K	353.78	Calculated Property
Cp,gas	915.68	J/mol×K	434.56	Calculated Property
Cp,gas	1030.17	J/mol×K	515.33	Calculated Property
Cp,gas	1131.79	J/mol×K	596.11	Calculated Property
Cp,gas	1221.42	J/mol×K	676.89	Calculated Property
Cp,gas	1299.97	J/mol×K	757.67	Calculated Property
Cp,gas	1368.34	J/mol×K	838.44	Calculated Property
Cp,gas	1427.43	J/mol×K	919.22	Calculated Property
Cp,gas	1478.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000018; 4.3858065e-08]	Pa×s	[697.38; 1040.38]	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			-2.45490e+01
Coefficient B			7.91389e+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.			697.38
Temperature range, max.			1040.38
η	0.0000018	Pa×s	697.38	Calculated Property
η	0.0000010	Pa×s	735.49	Calculated Property
η	0.0000006	Pa×s	773.60	Calculated Property
η	0.0000004	Pa×s	811.71	Calculated Property
η	0.0000002	Pa×s	849.83	Calculated Property
η	0.0000002	Pa×s	887.94	Calculated Property
η	0.0000001	Pa×s	926.05	Calculated Property
η	8.0023143e-08	Pa×s	964.16	Calculated Property
η	5.8568906e-08	Pa×s	1002.27	Calculated Property
η	4.3858065e-08	Pa×s	1040.38	Calculated Property

Similar Compounds

Find more compounds similar to Schkuhrianol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.
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