Chemical Properties of Dehydroaromadendrene (CAS 85048-01-7)

InChI

InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h6,10-14H,5,7-8H2,1-4H3/t10-,11?,12-,13?,14-/m1/s1

InChI Key

DJAYTQZJAJXFDU-DGOFFYKESA-N

Formula

C15H24

SMILES

CC1=CCC2C(C3C(C)CCC13)C2(C)C

Molecular Weight¹

204.35

CAS

85048-01-7

Other Names

• Dehydroaromadendrane
• Aromadendr-9-ene
• 9,10-Aromadendrene
• (1a«alpha»,4a«alpha»,7«alpha»,7a«beta»,7b«alpha»)-(-)-1a,2,4a,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulene

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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.
• 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
ω	0.3268		Relay (1.0) Calculated Property
ΔfG°	225.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-75.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.56	kJ/mol	Joback Calculated Property
ΔvapH°	64.68	kJ/mol	Relay (1.0) Calculated Property
IE	8.23	eV	Relay (1.0) Calculated Property
log10WS	-5.79		Relay (1.0) Calculated Property
logPoct/wat	4.271		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Pc	1973.55	kPa	Joback Calculated Property
Inp	[1434.00; 1493.00]
Inp	1450.00		NIST
Inp	1442.00		NIST
Inp	1456.00		NIST
Inp	1459.00		NIST
Inp	Outlier 1493.00		NIST
Inp	1463.00		NIST
Inp	1471.00		NIST
Inp	1459.00		NIST
Inp	1441.00		NIST
Inp	1456.00		NIST
Inp	1489.00		NIST
Inp	1434.00		NIST
Inp	1457.00		NIST
Inp	1459.00		NIST
Inp	1444.00		NIST
Inp	1455.00		NIST
Inp	1479.00		NIST
Inp	1462.00		NIST
Tboil	527.25	K	Relay (1.0) Calculated Property
Tc	761.81	K	Relay (1.0) Calculated Property
Tfus	294.56	K	Relay (1.0) Calculated Property
Vc	0.655	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[505.21; 627.64]	J/mol×K	[561.73; 778.35]
Cp,gas	505.21	J/mol×K	561.73	Joback Calculated Property
Cp,gas	528.79	J/mol×K	597.83	Joback Calculated Property
Cp,gas	550.88	J/mol×K	633.94	Joback Calculated Property
Cp,gas	571.64	J/mol×K	670.04	Joback Calculated Property
Cp,gas	591.24	J/mol×K	706.14	Joback Calculated Property
Cp,gas	609.85	J/mol×K	742.24	Joback Calculated Property
Cp,gas	627.64	J/mol×K	778.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dehydroaromadendrene.

Sources

• Cheméo Relay (1.0)
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.