Chemical Properties of 13-nor-Eremophila-1(10),6-dien-11-one

InChI

InChI=1S/C14H20O/c1-10-5-4-6-13-8-7-12(11(2)15)9-14(10,13)3/h6,9-10H,4-5,7-8H2,1-3H3/t10-,14+/m0/s1

InChI Key

KPRMOLFSYHPJAW-IINYFYTJSA-N

Formula

C14H20O

SMILES

CC(=O)C1=CC2(C)C(=CCCC2C)CC1

Molecular Weight¹

204.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	46.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-216.05	kJ/mol	Joback Calculated Property
ΔfusH°	16.85	kJ/mol	Joback Calculated Property
ΔvapH°	54.78	kJ/mol	Joback Calculated Property
log10WS	-3.98		Crippen Calculated Property
logPoct/wat	3.658		Crippen Calculated Property
McVol	179.370	ml/mol	McGowan Calculated Property
Pc	2374.90	kPa	Joback Calculated Property
Inp	[1617.00; 1617.00]
Inp	1617.00		NIST
Inp	1617.00		NIST
I	2209.00		NIST
Tboil	612.67	K	Joback Calculated Property
Tc	843.52	K	Joback Calculated Property
Tfus	369.73	K	Joback Calculated Property
Vc	0.677	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[474.70; 576.65]	J/mol×K	[612.67; 843.52]
Cp,gas	474.70	J/mol×K	612.67	Joback Calculated Property
Cp,gas	494.14	J/mol×K	651.14	Joback Calculated Property
Cp,gas	512.39	J/mol×K	689.62	Joback Calculated Property
Cp,gas	529.59	J/mol×K	728.09	Joback Calculated Property
Cp,gas	545.93	J/mol×K	766.57	Joback Calculated Property
Cp,gas	561.56	J/mol×K	805.04	Joback Calculated Property
Cp,gas	576.65	J/mol×K	843.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to 13-nor-Eremophila-1(10),6-dien-11-one.

Sources

• 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.