Chemical Properties of 4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl)- (CAS 7220-78-2)

InChI

InChI=1S/C20H34O2/c1-15(2)18-10-9-16(3)7-6-8-17(4)13-19(21)14-20(5,22)12-11-18/h7,11-13,15,18-19,21-22H,6,8-10,14H2,1-5H3/b12-11-,16-7-,17-13-

InChI Key

RIVKDDXPCFBMOV-KEBCYCLUSA-N

Formula

C20H34O2

SMILES

CC1=CC(O)CC(C)(O)C=CC(C(C)C)CCC(C)=CCC1

Molecular Weight¹

306.48

CAS

7220-78-2

Other Names

• FW 306
• 4,8,13-Duvatriene-1,3-Diol

• 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 : 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	0.6252		Relay (1.0) Calculated Property
ΔfG°	-181.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-517.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.98	kJ/mol	Joback Calculated Property
ΔvapH°	115.91	kJ/mol	Relay (1.0) Calculated Property
IE	8.08	eV	Relay (1.0) Calculated Property
log10WS	-4.31		Relay (1.0) Calculated Property
logPoct/wat	4.783		Crippen Calculated Property
McVol	280.640	ml/mol	McGowan Calculated Property
Pc	1620.68	kPa	Joback Calculated Property
I	[2955.00; 2955.00]
I	2955.00		NIST
I	2955.00		NIST
Tboil	648.26	K	Relay (1.0) Calculated Property
Tc	843.12	K	Relay (1.0) Calculated Property
Tfus	383.77	K	Relay (1.0) Calculated Property
Vc	0.909	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[954.41; 1054.55]	J/mol×K	[892.97; 1108.91]
Cp,gas	954.41	J/mol×K	892.97	Joback Calculated Property
Cp,gas	973.95	J/mol×K	928.96	Joback Calculated Property
Cp,gas	992.27	J/mol×K	964.95	Joback Calculated Property
Cp,gas	1009.43	J/mol×K	1000.94	Joback Calculated Property
Cp,gas	1025.49	J/mol×K	1036.93	Joback Calculated Property
Cp,gas	1040.51	J/mol×K	1072.92	Joback Calculated Property
Cp,gas	1054.55	J/mol×K	1108.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl)-.

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.