Chemical Properties of 1,6-Octadien-3-ol, 3,7-dimethyl-, propanoate (CAS 144-39-8)

InChI

InChI=1S/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3

InChI Key

WAQIIHCCEMGYKP-UHFFFAOYSA-N

Formula

C13H22O2

SMILES

C=CC(C)(CCC=C(C)C)OC(=O)CC

Molecular Weight¹

210.31

CAS

144-39-8

Other Names

• 1,6-Octadien-3-ol, 3,7-dimethyl-, propionate
• Linalyl propionate
• Linalyl n-propionate
• Linalyl propanoate

• 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.
• 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	0.4973		Relay (1.0) Calculated Property
ΔfG°	-12.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-469.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.41	kJ/mol	Joback Calculated Property
ΔvapH°	64.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-3.15		Relay (1.0) Calculated Property
logPoct/wat	3.631		Crippen Calculated Property
McVol	192.870	ml/mol	McGowan Calculated Property
Pc	1887.08	kPa	Joback Calculated Property
Inp	[1312.00; 1346.00]
Inp	1316.00		NIST
Inp	1321.40		NIST
Inp	1312.00		NIST
Inp	1324.00		NIST
Inp	1314.00		NIST
Inp	1313.00		NIST
Inp	1323.00		NIST
Inp	1320.00		NIST
Inp	1318.00		NIST
Inp	1315.00		NIST
Inp	1346.00		NIST
Inp	1319.00		NIST
Inp	1333.00		NIST
Inp	1333.00		NIST
Inp	1340.00		NIST
Inp	1338.00		NIST
Inp	1324.00		NIST
Inp	1340.00		NIST
Inp	1346.00		NIST
Inp	1318.00		NIST
I	[1624.00; 1696.00]
I	Outlier 1624.00		NIST
I	1657.00		NIST
I	1696.00		NIST
I	1690.00		NIST
I	1696.00		NIST
I	1686.00		NIST
I	1686.00		NIST
Tboil	500.86	K	Relay (1.0) Calculated Property
Tc	672.28	K	Relay (1.0) Calculated Property
Tfus	224.68	K	Relay (1.0) Calculated Property
Vc	0.681	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[478.02; 564.56]	J/mol×K	[570.62; 761.16]
Cp,gas	478.02	J/mol×K	570.62	Joback Calculated Property
Cp,gas	494.53	J/mol×K	602.38	Joback Calculated Property
Cp,gas	510.14	J/mol×K	634.13	Joback Calculated Property
Cp,gas	524.91	J/mol×K	665.89	Joback Calculated Property
Cp,gas	538.88	J/mol×K	697.65	Joback Calculated Property
Cp,gas	552.08	J/mol×K	729.40	Joback Calculated Property
Cp,gas	564.56	J/mol×K	761.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,6-Octadien-3-ol, 3,7-dimethyl-, propanoate.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.