Chemical Properties of Abietadiene (CAS 35241-40-8)

InChI

InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3

InChI Key

BBPXZLJCPUPNGH-UHFFFAOYSA-N

Formula

C20H32

SMILES

CC(C)C1=CC2=CCC3C(C)(C)CCCC3(C)C2CC1

Molecular Weight¹

272.47

CAS

35241-40-8

Other Names

• Abieta-7,13-diene
• Abitadiene
• 7,13-abietadiene

• 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	0.3719		Relay (1.0) Calculated Property
ΔfG°	258.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-135.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.08	kJ/mol	Joback Calculated Property
ΔvapH°	79.14	kJ/mol	Relay (1.0) Calculated Property
IE	8.11	eV	Relay (1.0) Calculated Property
log10WS	-6.44		Relay (1.0) Calculated Property
logPoct/wat	6.142		Crippen Calculated Property
McVol	251.480	ml/mol	McGowan Calculated Property
Pc	1579.71	kPa	Joback Calculated Property
Inp	[2044.00; 2107.20]
Inp	Outlier 2044.00		NIST
Inp	2068.00		NIST
Inp	2088.00		NIST
Inp	2080.00		NIST
Inp	2080.00		NIST
Inp	2080.00		NIST
Inp	2080.00		NIST
Inp	2080.00		NIST
Inp	2080.00		NIST
Inp	2080.00		NIST
Inp	2080.00		NIST
Inp	2080.00		NIST
Inp	2102.00		NIST
Inp	2071.00		NIST
Inp	2067.00		NIST
Inp	2064.00		NIST
Inp	2082.00		NIST
Inp	2080.00		NIST
Inp	2082.00		NIST
Inp	Outlier 2107.20		NIST
Inp	2072.00		NIST
Inp	2080.00		NIST
Inp	2073.00		NIST
Inp	2080.00		NIST
Inp	2088.00		NIST
Inp	2055.00		NIST
Inp	2061.00		NIST
Inp	2080.00		NIST
Inp	2088.00		NIST
Inp	2088.00		NIST
Inp	2088.00		NIST
Inp	2060.00		NIST
Inp	2080.00		NIST
Inp	2102.00		NIST
I	[2410.00; 2450.00]
I	2410.00		NIST
I	2447.00		NIST
I	2450.00		NIST
I	2449.00		NIST
I	2449.00		NIST
I	2410.00		NIST
Tboil	590.32	K	Relay (1.0) Calculated Property
Tc	830.79	K	Relay (1.0) Calculated Property
Tfus	341.17	K	Relay (1.0) Calculated Property
Vc	0.885	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[766.28; 911.87]	J/mol×K	[702.22; 935.86]
Cp,gas	766.28	J/mol×K	702.22	Joback Calculated Property
Cp,gas	792.08	J/mol×K	741.16	Joback Calculated Property
Cp,gas	816.84	J/mol×K	780.10	Joback Calculated Property
Cp,gas	840.88	J/mol×K	819.04	Joback Calculated Property
Cp,gas	864.52	J/mol×K	857.98	Joback Calculated Property
Cp,gas	888.08	J/mol×K	896.92	Joback Calculated Property
Cp,gas	911.87	J/mol×K	935.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Abietadiene.

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.