Chemical Properties of 6«alpha»-Hydroxygermacra-1(10),4-diene

InChI

InChI=1S/C15H26/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,12,15H,5,7-8,10-11H2,1-4H3/b13-6-,14-9+/t15-/m0/s1

InChI Key

YDLBHMSVYMFOMI-GNVJXCABSA-N

Formula

C15H26

SMILES

CC1=CCC(C(C)C)CCC(C)=CCC1

Molecular Weight¹

206.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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.
• 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
ΔfH°gas	-146.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.18	kJ/mol	Joback Calculated Property
ΔvapH°	69.18	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	5.115		Crippen Calculated Property
McVol	202.750	ml/mol	McGowan Calculated Property
Inp	[1664.00; 1687.00]
Inp	1664.00		NIST
Inp	1687.00		NIST
Inp	1687.00		NIST
Tboil	546.32	K	Relay (1.0) Calculated Property
Tfus	242.88	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[257.84; 717.24]	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			-5.43600e+01
Coefficient B			1.28748e+00
Coefficient C			-5.31280e-04
Coefficient D			1.54000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	257.84	J/mol×K	273.00	Calculated Property
Cp,gas	335.31	J/mol×K	353.78	Calculated Property
Cp,gas	406.06	J/mol×K	434.56	Calculated Property
Cp,gas	470.14	J/mol×K	515.33	Calculated Property
Cp,gas	527.59	J/mol×K	596.11	Calculated Property
Cp,gas	578.48	J/mol×K	676.89	Calculated Property
Cp,gas	622.83	J/mol×K	757.67	Calculated Property
Cp,gas	660.71	J/mol×K	838.44	Calculated Property
Cp,gas	692.17	J/mol×K	919.22	Calculated Property
Cp,gas	717.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0099543; 0.0000700]	Pa×s	[263.67; 566.78]	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			-1.38803e+01
Coefficient B			2.44437e+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.			263.67
Temperature range, max.			566.78
η	0.0099543	Pa×s	263.67	Calculated Property
η	0.0034833	Pa×s	297.35	Calculated Property
η	0.0015092	Pa×s	331.03	Calculated Property
η	0.0007632	Pa×s	364.71	Calculated Property
η	0.0004330	Pa×s	398.39	Calculated Property
η	0.0002684	Pa×s	432.07	Calculated Property
η	0.0001783	Pa×s	465.75	Calculated Property
η	0.0001252	Pa×s	499.43	Calculated Property
η	0.0000919	Pa×s	533.11	Calculated Property
η	0.0000700	Pa×s	566.78	Calculated Property

Similar Compounds

Find more compounds similar to 6«alpha»-Hydroxygermacra-1(10),4-diene.

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

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