Chemical Properties of Gossonorol (CAS 92691-77-5)

InChI

InChI=1S/C15H22O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-10,16H,5,11H2,1-4H3

InChI Key

WQIRCLDVWQIBLO-UHFFFAOYSA-N

Formula

C15H22O

SMILES

CC(C)=CCCC(C)(O)c1ccc(C)cc1

Molecular Weight¹

218.33

CAS

92691-77-5

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : 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°	23.82	kJ/mol	Joback Calculated Property
ΔvapH°	85.73	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.53		Relay (1.0) Calculated Property
logPoct/wat	3.949		Crippen Calculated Property
McVol	200.020	ml/mol	McGowan Calculated Property
Inp	[1625.00; 1645.00]
Inp	1638.00		NIST
Inp	1638.00		NIST
Inp	1636.00		NIST
Inp	1635.00		NIST
Inp	1640.00		NIST
Inp	1645.00		NIST
Inp	1640.00		NIST
Inp	1625.00		NIST
Inp	1635.00		NIST
Inp	1645.00		NIST
Inp	1625.00		NIST
I	[2312.00; 2312.00]
I	2312.00		NIST
I	2312.00		NIST
Tboil	563.60	K	Relay (1.0) Calculated Property
Tfus	316.83	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[541.32; 621.50]	J/mol×K	[667.45; 869.37]
Cp,gas	541.32	J/mol×K	667.45	Joback Calculated Property
Cp,gas	556.82	J/mol×K	701.10	Joback Calculated Property
Cp,gas	571.36	J/mol×K	734.76	Joback Calculated Property
Cp,gas	585.04	J/mol×K	768.41	Joback Calculated Property
Cp,gas	597.91	J/mol×K	802.06	Joback Calculated Property
Cp,gas	610.04	J/mol×K	835.71	Joback Calculated Property
Cp,gas	621.50	J/mol×K	869.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Gossonorol.

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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