Chemical Properties of cis-.alpha.-Guaiane

InChI

InChI=1S/C15H28/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h10-15H,5-9H2,1-4H3/t11-,12-,13+,14-,15-/m1/s1

InChI Key

QAQCPAHQVOKALN-UXXRCYHCSA-N

Formula

C15H28

SMILES

CC(C)[C@H]1CC[C@@H](C)[C@H]2CC[C@@H](C)[C@H]2C1

Molecular Weight¹

208.39

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.17	kJ/mol	Joback Calculated Property
IE	9.18	eV	Relay (1.0) Calculated Property
logPoct/wat	4.741		Crippen Calculated Property
McVol	200.490	ml/mol	McGowan Calculated Property
Inp	[1493.00; 1495.00]
Inp	1495.00		NIST
Inp	1493.00		NIST
Inp	1495.00		NIST
Tboil	541.13	K	Relay (1.0) Calculated Property
Tfus	267.36	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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	[263.72; 780.30]	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			-1.15580e+02
Coefficient B			1.61868e+00
Coefficient C			-8.84000e-04
Coefficient D			1.61200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	263.72	J/mol×K	273.00	Calculated Property
Cp,gas	353.57	J/mol×K	353.78	Calculated Property
Cp,gas	434.12	J/mol×K	434.56	Calculated Property
Cp,gas	505.88	J/mol×K	515.33	Calculated Property
Cp,gas	569.35	J/mol×K	596.11	Calculated Property
Cp,gas	625.05	J/mol×K	676.89	Calculated Property
Cp,gas	673.49	J/mol×K	757.67	Calculated Property
Cp,gas	715.16	J/mol×K	838.44	Calculated Property
Cp,gas	750.60	J/mol×K	919.22	Calculated Property
Cp,gas	780.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025609; 0.0004414]	Pa×s	[252.89; 537.72]	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			-9.28659e+00
Coefficient B			8.39390e+02
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.			252.89
Temperature range, max.			537.72
η	0.0025609	Pa×s	252.89	Calculated Property
η	0.0017703	Pa×s	284.54	Calculated Property
η	0.0013177	Pa×s	316.19	Calculated Property
η	0.0010350	Pa×s	347.83	Calculated Property
η	0.0008463	Pa×s	379.48	Calculated Property
η	0.0007138	Pa×s	411.13	Calculated Property
η	0.0006169	Pa×s	442.78	Calculated Property
η	0.0005436	Pa×s	474.42	Calculated Property
η	0.0004867	Pa×s	506.07	Calculated Property
η	0.0004414	Pa×s	537.72	Calculated Property

Similar Compounds

Find more compounds similar to cis-.alpha.-Guaiane.

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.
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.