Chemical Properties of 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, [1R-(1«alpha»,4a«beta»,7«beta»,10a«alpha»)]- (CAS 3582-26-1)

InChI

InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,17H,1,7-14H2,2-5H3

InChI Key

GTFNGUBYWRFHMR-UHFFFAOYSA-N

Formula

C21H32O2

SMILES

C=CC1(C)CCC2=C(CCC3C(C)(C(=O)OC)CCCC23C)C1

Molecular Weight¹

316.48

CAS

3582-26-1

Other Names

• Podocarp-8-en-15-oic acid, 13«alpha»-methyl-13-vinyl-, methyl ester
• Methyl 8,15-Pimaradien-18-oate

• 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	0.4527		Relay (... Calculated Property
ΔfG°	88.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-419.67	kJ/mol	Relay (... Calculated Property
ΔfusH°	18.18	kJ/mol	Joback Calculated Property
ΔvapH°	94.27	kJ/mol	Relay (... Calculated Property
IE	8.34	eV	Relay (... Calculated Property
log10WS	-4.84		Relay (... Calculated Property
logPoct/wat	5.439		Crippen Calculated Property
McVol	273.010	ml/mol	McGowan Calculated Property
Pc	1570.96	kPa	Joback Calculated Property
Inp	[2184.00; 2184.00]
Inp	2184.00		NIST
Inp	2184.00		NIST
Tboil	619.58	K	Relay (... Calculated Property
Tc	866.59	K	Relay (... Calculated Property
Tfus	371.96	K	Relay (... Calculated Property
Vc	0.944	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[881.99; 1050.73]	J/mol×K	[799.59; 1036.90]
Cp,gas	881.99	J/mol×K	799.59	Joback Calculated Property
Cp,gas	908.01	J/mol×K	839.14	Joback Calculated Property
Cp,gas	934.29	J/mol×K	878.69	Joback Calculated Property
Cp,gas	961.27	J/mol×K	918.24	Joback Calculated Property
Cp,gas	989.38	J/mol×K	957.79	Joback Calculated Property
Cp,gas	1019.06	J/mol×K	997.34	Joback Calculated Property
Cp,gas	1050.73	J/mol×K	1036.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, [1R-(1«alpha»,4a«beta»,7«beta»,10a«alpha»)]-.

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.