Chemical Properties of Tricyclo[4.4.0.0(2,7)]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, stereoisomer (CAS 20479-06-5)

InChI

InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3

InChI Key

UPVZPMJSRSWJHQ-UHFFFAOYSA-N

Formula

C15H24

SMILES

C=C1CCC2C3C(C(C)C)CCC2(C)C13

Molecular Weight¹

204.35

CAS

20479-06-5

Other Names

• Tricyclo[4.4.0.0(2,7)]decane, 8-isopropyl-1-methyl-3-methylene-, syn-8-
• «beta»-Ylangene
• trans-«beta»-Copaene
• «beta»-Yalangene

• 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.
• 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
ω	0.3525		Relay (1.0) Calculated Property
ΔfG°	275.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-3.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.07	kJ/mol	Joback Calculated Property
ΔvapH°	58.31	kJ/mol	Relay (1.0) Calculated Property
IE	8.59	eV	Relay (1.0) Calculated Property
log10WS	-5.66		Relay (1.0) Calculated Property
logPoct/wat	4.271		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Pc	1998.33	kPa	Joback Calculated Property
Inp	[1372.00; 1451.00]
Inp	1417.50		NIST
Inp	1425.00		NIST
Inp	1421.00		NIST
Inp	1421.00		NIST
Inp	1422.00		NIST
Inp	1418.00		NIST
Inp	1424.80		NIST
Inp	1421.00		NIST
Inp	1426.00		NIST
Inp	1422.00		NIST
Inp	1421.00		NIST
Inp	1419.00		NIST
Inp	1431.00		NIST
Inp	1418.00		NIST
Inp	Outlier 1372.00		NIST
Inp	Outlier 1380.00		NIST
Inp	1423.00		NIST
Inp	1416.00		NIST
Inp	1423.00		NIST
Inp	1425.00		NIST
Inp	1419.00		NIST
Inp	1424.00		NIST
Inp	1420.00		NIST
Inp	1421.00		NIST
Inp	1421.00		NIST
Inp	Outlier 1451.00		NIST
Inp	1421.00		NIST
Inp	1421.00		NIST
Inp	1420.00		NIST
Inp	1421.00		NIST
Inp	1405.00		NIST
Inp	1405.00		NIST
Inp	1425.00		NIST
Inp	1426.00		NIST
Inp	1418.00		NIST
Inp	1423.00		NIST
Inp	1417.50		NIST
I	[1547.00; 1589.00]
I	1567.00		NIST
I	1568.00		NIST
I	1576.00		NIST
I	1574.00		NIST
I	Outlier 1547.00		NIST
I	1580.00		NIST
I	1568.00		NIST
I	Outlier 1553.00		NIST
I	1570.00		NIST
I	1589.00		NIST
I	1586.00		NIST
I	1576.00		NIST
I	1589.00		NIST
I	1589.00		NIST
I	1589.00		NIST
I	1589.00		NIST
I	1589.00		NIST
I	1589.00		NIST
I	1589.00		NIST
I	1589.00		NIST
I	1573.00		NIST
I	1589.00		NIST
I	1589.00		NIST
I	1572.00		NIST
I	1589.00		NIST
I	1589.00		NIST
I	1589.00		NIST
I	1589.00		NIST
I	1567.00		NIST
I	1580.00		NIST
I	1586.00		NIST
Tboil	520.37	K	Relay (1.0) Calculated Property
Tc	771.37	K	Relay (1.0) Calculated Property
Tfus	267.85	K	Relay (1.0) Calculated Property
Vc	0.644	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[501.63; 619.46]	J/mol×K	[556.71; 769.30]
Cp,gas	501.63	J/mol×K	556.71	Joback Calculated Property
Cp,gas	524.39	J/mol×K	592.14	Joback Calculated Property
Cp,gas	545.67	J/mol×K	627.57	Joback Calculated Property
Cp,gas	565.65	J/mol×K	663.00	Joback Calculated Property
Cp,gas	584.49	J/mol×K	698.44	Joback Calculated Property
Cp,gas	602.37	J/mol×K	733.87	Joback Calculated Property
Cp,gas	619.46	J/mol×K	769.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[4.4.0.0(2,7)]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, stereoisomer.

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.