Chemical Properties of Phenol, 2-methyl-5-(1-methylethyl)-, acetate (CAS 6380-28-5)

InChI

InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5-8H,1-4H3

InChI Key

OXZSUQJHKQOGOK-UHFFFAOYSA-N

Formula

C12H16O2

SMILES

CC(=O)Oc1cc(C(C)C)ccc1C

Molecular Weight¹

192.25

CAS

6380-28-5

Other Names

• Carvacryl acetate
• 5-Isopropyl-o-tolyl acetate
• Carvacrol acetate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-93.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-327.50	kJ/mol	Joback Calculated Property
ΔfusH°	19.36	kJ/mol	Joback Calculated Property
ΔvapH°	54.67	kJ/mol	Joback Calculated Property
log10WS	-3.45		Crippen Calculated Property
logPoct/wat	3.044		Crippen Calculated Property
McVol	163.620	ml/mol	McGowan Calculated Property
Pc	2462.92	kPa	Joback Calculated Property
Inp	[1341.00; 1391.00]
Inp	Outlier 1391.00		NIST
Inp	1381.00		NIST
Inp	1354.00		NIST
Inp	1353.00		NIST
Inp	1371.00		NIST
Inp	1369.00		NIST
Inp	1375.00		NIST
Inp	1368.00		NIST
Inp	1372.00		NIST
Inp	1364.00		NIST
Inp	1368.00		NIST
Inp	1371.00		NIST
Inp	1368.00		NIST
Inp	Outlier 1341.00		NIST
Inp	1376.00		NIST
Inp	1363.00		NIST
Inp	1372.00		NIST
Inp	1348.00		NIST
Inp	Outlier 1344.00		NIST
Inp	1371.00		NIST
Inp	1348.00		NIST
Inp	1371.00		NIST
Inp	1367.00		NIST
Inp	1373.00		NIST
Inp	1371.00		NIST
Inp	1362.00		NIST
Inp	1367.00		NIST
Inp	1371.00		NIST
Inp	Outlier 1391.00		NIST
Inp	1375.00		NIST
Inp	1372.00		NIST
I	[1868.00; 1890.00]
I	1882.00		NIST
I	1868.00		NIST
I	1890.00		NIST
I	1890.00		NIST
Tboil	586.45	K	Joback Calculated Property
Tc	798.75	K	Joback Calculated Property
Tfus	333.62	K	Joback Calculated Property
Vc	0.618	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[393.82; 472.25]	J/mol×K	[586.45; 798.75]
Cp,gas	393.82	J/mol×K	586.45	Joback Calculated Property
Cp,gas	408.86	J/mol×K	621.83	Joback Calculated Property
Cp,gas	423.09	J/mol×K	657.22	Joback Calculated Property
Cp,gas	436.53	J/mol×K	692.60	Joback Calculated Property
Cp,gas	449.20	J/mol×K	727.98	Joback Calculated Property
Cp,gas	461.11	J/mol×K	763.37	Joback Calculated Property
Cp,gas	472.25	J/mol×K	798.75	Joback Calculated Property
η	[0.0001653; 0.0016439]	Pa×s	[333.62; 586.45]
η	0.0016439	Pa×s	333.62	Joback Calculated Property
η	0.0009045	Pa×s	375.76	Joback Calculated Property
η	0.0005614	Pa×s	417.90	Joback Calculated Property
η	0.0003803	Pa×s	460.04	Joback Calculated Property
η	0.0002750	Pa×s	502.17	Joback Calculated Property
η	0.0002091	Pa×s	544.31	Joback Calculated Property
η	0.0001653	Pa×s	586.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2-methyl-5-(1-methylethyl)-, acetate.

Sources

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

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