Chemical Properties of 4-(3-hydroxy-but-1-enyl)-3,5,5-trimethylcyclohex-3-ene-1,2-diol

InChI

InChI=1S/C13H22O3/c1-8(14)5-6-10-9(2)12(16)11(15)7-13(10,3)4/h5-6,8,11-12,14-16H,7H2,1-4H3/b6-5+

InChI Key

HODWUFMHAGVDJY-AATRIKPKSA-N

Formula

C13H22O3

SMILES

CC1=C(C=CC(C)O)C(C)(C)CC(O)C1O

Molecular Weight¹

226.31

• 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.
• 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	0.7149		Relay (... Calculated Property
ΔfG°	-259.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-552.13	kJ/mol	Relay (... Calculated Property
ΔfusH°	26.49	kJ/mol	Joback Calculated Property
ΔvapH°	113.99	kJ/mol	Relay (... Calculated Property
IE	8.41	eV	Relay (... Calculated Property
log10WS	-1.50		Relay (... Calculated Property
logPoct/wat	1.392		Crippen Calculated Property
McVol	192.180	ml/mol	McGowan Calculated Property
Pc	2657.03	kPa	Joback Calculated Property
Inp	[1518.00; 1518.00]
Inp	1518.00		NIST
Inp	1518.00		NIST
Tboil	574.60	K	Relay (... Calculated Property
Tc	788.72	K	Relay (... Calculated Property
Tfus	370.76	K	Relay (... Calculated Property
Vc	0.668	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[603.10; 678.86]	J/mol×K	[796.67; 986.11]
Cp,gas	603.10	J/mol×K	796.67	Joback Calculated Property
Cp,gas	616.26	J/mol×K	828.24	Joback Calculated Property
Cp,gas	629.10	J/mol×K	859.82	Joback Calculated Property
Cp,gas	641.70	J/mol×K	891.39	Joback Calculated Property
Cp,gas	654.14	J/mol×K	922.96	Joback Calculated Property
Cp,gas	666.50	J/mol×K	954.53	Joback Calculated Property
Cp,gas	678.86	J/mol×K	986.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-(3-hydroxy-but-1-enyl)-3,5,5-trimethylcyclohex-3-ene-1,2-diol.

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.