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-RMEBNNNOSA-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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[541.12; 679.28]	J/mol×K	[558.91; 768.17]
Cp,gas	541.12	J/mol×K	558.91	Joback Calculated Property
Cp,gas	567.64	J/mol×K	593.79	Joback Calculated Property
Cp,gas	592.70	J/mol×K	628.66	Joback Calculated Property
Cp,gas	616.36	J/mol×K	663.54	Joback Calculated Property
Cp,gas	638.65	J/mol×K	698.42	Joback Calculated Property
Cp,gas	659.61	J/mol×K	733.29	Joback Calculated Property
Cp,gas	679.28	J/mol×K	768.17	Joback Calculated Property
η	[0.0004160; 0.0025609]	Pa×s	[252.89; 558.91]
η	0.0025609	Pa×s	252.89	Joback Calculated Property
η	0.0014671	Pa×s	303.89	Joback Calculated Property
η	0.0009864	Pa×s	354.90	Joback Calculated Property
η	0.0007328	Pa×s	405.90	Joback Calculated Property
η	0.0005818	Pa×s	456.90	Joback Calculated Property
η	0.0004837	Pa×s	507.91	Joback Calculated Property
η	0.0004160	Pa×s	558.91	Joback 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.
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