Chemical Properties of Vitispirane (CAS 65416-59-3)

InChI

InChI=1S/C13H20O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h5-6,11H,1,7-9H2,2-4H3

InChI Key

DUPDJVDPPBFBPL-UHFFFAOYSA-N

Formula

C13H20O

SMILES

C=C1C=CCC(C)(C)C12CCC(C)O2

Molecular Weight¹

192.30

CAS

65416-59-3

Other Names

• Vitispirane I
• Vitispirane II
• 2,10,10-trimethyl-6-methylidene-1-oxaspiro[4.5]dec-7-ene
• 2,10,10-trimethyl-6-methylene-1-oxaspiro[4.5]dec-7-ene

• 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°	109.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-170.53	kJ/mol	Joback Calculated Property
ΔfusH°	13.81	kJ/mol	Joback Calculated Property
ΔvapH°	47.40	kJ/mol	Joback Calculated Property
log10WS	-3.83		Crippen Calculated Property
logPoct/wat	3.466		Crippen Calculated Property
McVol	169.580	ml/mol	McGowan Calculated Property
Pc	2492.52	kPa	Joback Calculated Property
Inp	[1242.00; 1315.00]
Inp	1279.00		NIST
Inp	1260.00		NIST
Inp	1272.00		NIST
Inp	1272.00		NIST
Inp	1268.00		NIST
Inp	1276.00		NIST
Inp	1271.00		NIST
Inp	1271.00		NIST
Inp	Outlier 1242.00		NIST
Inp	1270.00		NIST
Inp	Outlier 1315.00		NIST
Inp	1286.00		NIST
Inp	1272.00		NIST
Inp	1292.00		NIST
Inp	1260.00		NIST
Inp	1281.00		NIST
Inp	1281.00		NIST
Inp	1279.00		NIST
Inp	1260.00		NIST
I	[1505.00; 1543.00]
I	1505.00		NIST
I	1515.00		NIST
I	1524.00		NIST
I	1528.00		NIST
I	1513.00		NIST
I	1513.00		NIST
I	1527.00		NIST
I	1543.00		NIST
I	1515.00		NIST
I	1507.00		NIST
I	1510.00		NIST
I	1507.00		NIST
I	1535.00		NIST
I	1515.00		NIST
I	1524.00		NIST
I	1543.00		NIST
Tboil	548.48	K	Joback Calculated Property
Tc	780.54	K	Joback Calculated Property
Tfus	342.64	K	Joback Calculated Property
Vc	0.631	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[430.91; 538.80]	J/mol×K	[548.48; 780.54]
Cp,gas	430.91	J/mol×K	548.48	Joback Calculated Property
Cp,gas	451.73	J/mol×K	587.16	Joback Calculated Property
Cp,gas	471.06	J/mol×K	625.83	Joback Calculated Property
Cp,gas	489.17	J/mol×K	664.51	Joback Calculated Property
Cp,gas	506.32	J/mol×K	703.18	Joback Calculated Property
Cp,gas	522.78	J/mol×K	741.86	Joback Calculated Property
Cp,gas	538.80	J/mol×K	780.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Vitispirane.

Sources

• 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.