Chemical Properties of 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (R)- (CAS 17092-92-1)

InChI

InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3/t11-/m0/s1

InChI Key

IMKHDCBNRDRUEB-NSHDSACASA-N

Formula

C11H16O2

SMILES

CC1(C)CCCC2(C)OC(=O)C=C12

Molecular Weight¹

180.24

CAS

17092-92-1

Other Names

• 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-
• Actinidiolide, dihydro-
• NSC 357087
• Dihydroactinidiolide
• 4,4,7a-Trimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one, (R)-
• 5,6,7,7a-Tetrahydro-4,4-7a-trimethyl-2-(4H)-benzofuranone
• dihydroactindiolide
• 5,6,7,7a-Tetrahydro-4,4-7a-trimethyl-2-(4H)-benzofuranone (dihydroactinidiolide)

• 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).
• 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
ΔfG°	-72.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-336.16	kJ/mol	Joback Calculated Property
ΔfusH°	9.94	kJ/mol	Joback Calculated Property
ΔvapH°	47.83	kJ/mol	Joback Calculated Property
log10WS	-2.80		Crippen Calculated Property
logPoct/wat	2.438		Crippen Calculated Property
McVol	147.270	ml/mol	McGowan Calculated Property
Pc	3079.57	kPa	Joback Calculated Property
Inp	[1471.00; 1550.00]
Inp	1493.00		NIST
Inp	1532.00		NIST
Inp	1473.00		NIST
Inp	1475.00		NIST
Inp	1473.00		NIST
Inp	1475.00		NIST
Inp	1508.00		NIST
Inp	1513.00		NIST
Inp	1495.00		NIST
Inp	1471.00		NIST
Inp	1548.00		NIST
Inp	1525.00		NIST
Inp	1520.00		NIST
Inp	1535.00		NIST
Inp	1532.00		NIST
Inp	1495.00		NIST
Inp	1538.00		NIST
Inp	1531.00		NIST
Inp	1542.00		NIST
Inp	1522.00		NIST
Inp	1522.00		NIST
Inp	1539.00		NIST
Inp	1486.00		NIST
Inp	1494.00		NIST
Inp	1490.00		NIST
Inp	1483.00		NIST
Inp	1480.00		NIST
Inp	1483.00		NIST
Inp	1519.00		NIST
Inp	1519.00		NIST
Inp	1546.00		NIST
Inp	1548.00		NIST
Inp	1550.00		NIST
Inp	1492.00		NIST
Inp	1485.00		NIST
Inp	1537.00		NIST
Inp	1539.00		NIST
Inp	1539.00		NIST
Inp	1532.00		NIST
Inp	1538.00		NIST
Inp	1499.00		NIST
Inp	1493.00		NIST
Inp	1475.00		NIST
Inp	1495.00		NIST
Inp	1522.00		NIST
Inp	1483.00		NIST
Inp	1548.00		NIST
I	[2280.00; 2359.00]
I	2291.00		NIST
I	2359.00		NIST
I	2359.00		NIST
I	2280.00		NIST
I	2337.00		NIST
I	2315.00		NIST
I	2354.00		NIST
I	2308.00		NIST
I	2348.00		NIST
I	2324.00		NIST
I	2354.00		NIST
I	2355.00		NIST
I	2354.00		NIST
I	2316.00		NIST
I	2294.00		NIST
I	2291.00		NIST
Tboil	576.76	K	Joback Calculated Property
Tc	823.41	K	Joback Calculated Property
Tfus	394.92	K	Joback Calculated Property
Vc	0.551	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[384.12; 479.66]	J/mol×K	[576.76; 823.41]
Cp,gas	384.12	J/mol×K	576.76	Joback Calculated Property
Cp,gas	401.95	J/mol×K	617.87	Joback Calculated Property
Cp,gas	418.65	J/mol×K	658.98	Joback Calculated Property
Cp,gas	434.48	J/mol×K	700.08	Joback Calculated Property
Cp,gas	449.74	J/mol×K	741.19	Joback Calculated Property
Cp,gas	464.70	J/mol×K	782.30	Joback Calculated Property
Cp,gas	479.66	J/mol×K	823.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (R)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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