Chemical Properties of Oxirane, 2,2-dimethyl-3-(3,7,12,16,20-pentamethyl-3,7,11,15,19-heneicosapentaenyl)-, (all-E)- (CAS 7200-26-2)

InChI

InChI=1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+

InChI Key

QYIMSPSDBYKPPY-BANQPHDMSA-N

Formula

C30H50O

SMILES

CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC1OC1(C)C

Molecular Weight¹

426.72

CAS

7200-26-2

Other Names

• 2,2-Dimethyl-3-((3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl)oxirane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	68.80	kJ/mol	Joback Calculated Property
ΔvapH°	117.50	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.83		Relay (1.0) Calculated Property
logPoct/wat	9.816		Crippen Calculated Property
McVol	407.070	ml/mol	McGowan Calculated Property
Inp	[2963.40; 2963.40]
Inp	2963.40		NIST
Inp	2963.40		NIST
Tboil	651.96	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1375.92; 1545.96]	J/mol×K	[935.26; 1146.41]
Cp,gas	1375.92	J/mol×K	935.26	Joback Calculated Property
Cp,gas	1403.12	J/mol×K	970.45	Joback Calculated Property
Cp,gas	1430.44	J/mol×K	1005.64	Joback Calculated Property
Cp,gas	1458.14	J/mol×K	1040.84	Joback Calculated Property
Cp,gas	1486.46	J/mol×K	1076.03	Joback Calculated Property
Cp,gas	1515.65	J/mol×K	1111.22	Joback Calculated Property
Cp,gas	1545.96	J/mol×K	1146.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Oxirane, 2,2-dimethyl-3-(3,7,12,16,20-pentamethyl-3,7,11,15,19-heneicosapentaenyl)-, (all-E)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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